3-(5-carboxy-2-heptoxy-phenyl)sulfonyl-4-heptoxy-benzoic acid

Systemtic Name: 3-(5-carboxy-2-heptoxy-phenyl)sulfonyl-4-heptoxy-benzoic acid Openeye Name: 3-(5-carboxy-2-heptoxy-phenyl)sulfonyl-4-heptoxy-benzoic acid CAS Name: 3-(5-carboxy-2-heptoxyphenyl)sulfonyl-4-heptoxybenzoic acid IUPAC Name: 3-(5-carboxy-2-heptoxyphenyl)sulfonyl-4-heptoxybenzoic acid Traditional Name: 3-(5-carboxy-2-heptoxy-phenyl)sulfonyl-4-heptoxy-benzoic acid Formula: C28H38O8S MolecularWeight: 534.66152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OCCCCCCC

InChI

InChI=1S/C28H38O8S/c1-3-5-7-9-11-17-35-23-15-13-21(27(29)30)19-25(23)37(33,34)26-20-22(28(31)32)14-16-24(26)36-18-12-10-8-6-4-2/h13-16,19-20H,3-12,17-18H2,1-2H3,(H,29,30)(H,31,32)