334461 <common-name>5-[2-(3-carboxy-4-ethoxycarbonylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-ethoxycarbonylbenzoic acid</common-name> <description>5-[2-(3-carboxy-4-ethoxycarbonylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-ethoxycarbonylbenzoic acid is a chemical compound with the formula C23H18F6O8. With an average molecular weight of 536.40 g/mol, 5-[2-(3-carboxy-4-ethoxycarbonylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-ethoxycarbonylbenzoic acid is a heavy molecule.</description> <cas>71550-47-5</cas> <pubchem-id>3085505</pubchem-id> <chemical-formula>C23H18F6O8</chemical-formula> <weight>536.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T16:10:26Z</created-at> <updated-at type="dateTime">2026-08-30T16:10:26Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCOC(=O)C1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C(=O)OCC)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O</moldb-smiles> <moldb-formula>C23H18F6O8</moldb-formula> <moldb-inchi>InChI=1S/C23H18F6O8/c1-3-36-19(34)13-7-5-11(9-15(13)17(30)31)21(22(24,25)26,23(27,28)29)12-6-8-14(20(35)37-4-2)16(10-12)18(32)33/h5-10H,3-4H2,1-2H3,(H,30,31)(H,32,33)</moldb-inchi> <moldb-inchikey>NTPCDVSNKHWARH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">536.0905865</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM330354</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>5-[2-(3-carboxy-4-ethoxycarbonylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-ethoxycarbonylbenzoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0284938</sync-id> <structure-inchikey>NTPCDVSNKHWARH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>101000800000002000000050000000000000000000000000000000000002000000000000000000000004000000000000000080000000000000000000000000000000000000000000000020000000000104000000000000010000000000010001000000000100100000000000000000000000000000000800000000010040000000000000000000000000000000000000000000020000000000000008000000000000000000080000001140000000040000000000000000000000000000000000000000000000000000404000000000002000000200000000000000000000000000000040000000000400800000000000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>7014c20085328e6489021b6181b8a208980014128107a010803d20408a204a4c640200101180000c8100410800c0a000046002a4408e3231016c653980a04204c7118c8012801400009010601a7203020804c58051211f374004446244024b058e20452f004c122040880480ddb40044348292520125e186310a244102510806104410080ef0a20808060250c82c0288391c181244429e8a50040c206240868401d1109300b0c22008044860017c75144ac10002894308c010900ab04cc00212a20010a4849a0332198024a0571542910c010010032070000d700600280003009038493418898120110c0001581620820250063480c2040e13209000d2020002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������%���&���€���`�������`�������(�������(�������(������@(������@(������@h�������@(������@h�������@h�������� �����@(������@h�������@(������@(������@h�������@h��������(�������(�������(�������`�������`�������(�������(�������h�������� ���� � ���� � ���� � ������ ���� � ���� � ���� � ������(�������(�������h��������������� ��(��� ��h���h���h�� h� h�������� h� �h���h���h���h��� ��(��� �������� ��(��� ������������������� ��!��" "#(�"$ �h���h�B������ ���� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:19Z</structure-indexed-at> </compound>