3-[2,3-bis(oxidanyl)-3-oxidanylidene-1-(2-undecoxyphenyl)propyl]sulfanylbenzoic acid

Systemtic Name: 3-[2,3-bis(oxidanyl)-3-oxidanylidene-1-(2-undecoxyphenyl)propyl]sulfanylbenzoic acid Openeye Name: 3-[2,3-dihydroxy-3-oxo-1-(2-undecoxyphenyl)propyl]sulfanylbenzoic acid CAS Name: 3-[[2,3-dihydroxy-3-oxo-1-(2-undecoxyphenyl)propyl]thio]benzoic acid IUPAC Name: 3-[2,3-dihydroxy-3-oxo-1-(2-undecoxyphenyl)propyl]sulfanylbenzoic acid Traditional Name: 3-[[2,3-dihydroxy-3-keto-1-(2-undecoxyphenyl)propyl]thio]benzoic acid Formula: C27H36O6S MolecularWeight: 488.63614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=CC=C1C(C(C(=O)O)O)SC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCOC1=CC=CC=C1C(C(C(=O)O)O)SC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C27H36O6S/c1-2-3-4-5-6-7-8-9-12-18-33-23-17-11-10-16-22(23)25(24(28)27(31)32)34-21-15-13-14-20(19-21)26(29)30/h10-11,13-17,19,24-25,28H,2-9,12,18H2,1H3,(H,29,30)(H,31,32)