351419 <common-name>4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzene-1,3-disulfonic acid</common-name> <description>4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzene-1,3-disulfonic acid is a compound with the formula C31H31N2O7S2+. With an average molecular weight of 607.70 g/mol, 4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzene-1,3-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>122181</pubchem-id> <chemical-formula>C31H31N2O7S2+</chemical-formula> <weight>607.7</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">2026-08-31T17:07:10Z</created-at> <updated-at type="dateTime">2026-08-31T17:07:10Z</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>C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)S(=O)(=O)O)S(=O)(=O)O)CCC7</moldb-smiles> <moldb-formula>C31H31N2O7S2+</moldb-formula> <moldb-inchi>InChI=1S/C31H30N2O7S2/c34-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-32-13-3-7-22(28(18)32)30(24)40-31-23-8-4-14-33-12-2-6-19(29(23)33)16-25(27)31/h9-10,15-17H,1-8,11-14H2,(H-,34,35,36,37,38,39)/p+1</moldb-inchi> <moldb-inchikey>COIVODZMVVUETJ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">607.1572687</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM347312</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>4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzene-1,3-disulfonic 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>Organoheterocyclic compounds</superklass> <klass>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301719</sync-id> <structure-inchikey>COIVODZMVVUETJ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>201000060000020000000000000000000020000000000000010000040000000000000000000005000000028040000000800100000000000001000000000000000000000008000002008000000020000020800000c00000001000000000000000000000010000000800000000104008000000020100000000000000000000000800000800000000000000000000200000000000000000002000080000000080000200040000000000000000080300000000000000000020088002000004008000000004000000200000000000000000000000000080000000208200000000000200200000000000000040000000000000020000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������*���1���€���`�������`������@(������@h�������@(������@(������@(������@(�������(�������`�������`�������`�������`�������(������@(������@(�������`�������`�������`������ *�������@(������@(������@h�������@(�������(������@(������@(������@h�������@(������@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">2026-09-19T05:49:21Z</structure-indexed-at> </compound>