345896 <common-name>3-acetyloxy-4-[(2-acetyloxy-3-carboxynaphthalen-1-yl)methyl]naphthalene-2-carboxylic acid</common-name> <description>3-acetyloxy-4-[(2-acetyloxy-3-carboxynaphthalen-1-yl)methyl]naphthalene-2-carboxylic acid is a chemical compound with the formula C27H20O8. It has an average molecular weight of 472.40 g/mol.</description> <cas nil="true"/> <pubchem-id>50254</pubchem-id> <chemical-formula>C27H20O8</chemical-formula> <weight>472.4</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">2026-08-31T08:57:09Z</created-at> <updated-at type="dateTime">2026-08-31T08:57:09Z</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>CC(=O)OC1=C(C2=CC=CC=C2C=C1C(=O)O)CC3=C(C(=CC4=CC=CC=C43)C(=O)O)OC(=O)C</moldb-smiles> <moldb-formula>C27H20O8</moldb-formula> <moldb-inchi>InChI=1S/C27H20O8/c1-14(28)34-24-20(18-9-5-3-7-16(18)11-22(24)26(30)31)13-21-19-10-6-4-8-17(19)12-23(27(32)33)25(21)35-15(2)29/h3-12H,13H2,1-2H3,(H,30,31)(H,32,33)</moldb-inchi> <moldb-inchikey>ROPGHLLGBQVDFM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">472.1158176</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM341789</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>3-acetyloxy-4-[(2-acetyloxy-3-carboxynaphthalen-1-yl)methyl]naphthalene-2-carboxylic 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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalenecarboxylic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296250</sync-id> <structure-inchikey>ROPGHLLGBQVDFM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000400000000000004000000000000000080000000000000000000000000000000000000000000000020000000000100000000000000800000000000010000000802000000100000000000000000006000000000000000400010010040000001800000000000000000000000000100000000000000000000000000000000000000040000080000000000020000000000000000000000000000000020040000000000000000000000000000000000000040000200000100000000000000000001000040000000000400000000000000000100400000002000</structure-fingerprint> 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