3-[[2-oxidanyl-2-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[2-oxidanyl-2-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]thio]methyl]benzoic acid IUPAC Name: 3-[[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[2-hydroxy-2-keto-1-[2-(8-phenyloctyl)phenyl]ethyl]thio]methyl]benzoic acid Formula: C30H34O4S MolecularWeight: 490.65356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(=O)O)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(=O)O)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C30H34O4S/c31-29(32)26-19-12-16-24(21-26)22-35-28(30(33)34)27-20-11-10-18-25(27)17-9-4-2-1-3-6-13-23-14-7-5-8-15-23/h5,7-8,10-12,14-16,18-21,28H,1-4,6,9,13,17,22H2,(H,31,32)(H,33,34)