4-[[3-[(4-carboxyphenyl)methylsulfanyl]-8-oxidanyl-8-oxidanylidene-octyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[3-[(4-carboxyphenyl)methylsulfanyl]-8-oxidanyl-8-oxidanylidene-octyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-[(4-carboxyphenyl)methylsulfanyl]-8-hydroxy-8-oxo-octyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-[(4-carboxyphenyl)methylthio]-8-hydroxy-8-oxooctyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-[(4-carboxyphenyl)methylsulfanyl]-8-hydroxy-8-oxooctyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-[(4-carboxybenzyl)thio]-8-hydroxy-8-keto-octyl]thio]methyl]benzoic acid Formula: C24H28O6S2 MolecularWeight: 476.60552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC(CCCCC(=O)O)SCC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCCC(CCCCC(=O)O)SCC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C24H28O6S2/c25-22(26)4-2-1-3-21(32-16-18-7-11-20(12-8-18)24(29)30)13-14-31-15-17-5-9-19(10-6-17)23(27)28/h5-12,21H,1-4,13-16H2,(H,25,26)(H,27,28)(H,29,30)