4-[1,2-bis(oxidanyl)-1-oxidanylidene-3-[2-(8-phenyloctyl)phenyl]propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[1,2-bis(oxidanyl)-1-oxidanylidene-3-[2-(8-phenyloctyl)phenyl]propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[1,2-dihydroxy-2-oxo-1-[[2-(8-phenyloctyl)phenyl]methyl]ethyl]sulfanylbenzoic acid CAS Name: 4-[[1,2-dihydroxy-1-oxo-3-[2-(8-phenyloctyl)phenyl]propan-2-yl]thio]benzoic acid IUPAC Name: 4-[1,2-dihydroxy-1-oxo-3-[2-(8-phenyloctyl)phenyl]propan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[1,2-dihydroxy-2-keto-1-[2-(8-phenyloctyl)benzyl]ethyl]thio]benzoic acid Formula: C30H34O5S MolecularWeight: 506.65296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CC(C(=O)O)(O)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CC(C(=O)O)(O)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C30H34O5S/c31-28(32)25-18-20-27(21-19-25)36-30(35,29(33)34)22-26-17-11-10-16-24(26)15-9-4-2-1-3-6-12-23-13-7-5-8-14-23/h5,7-8,10-11,13-14,16-21,35H,1-4,6,9,12,15,22H2,(H,31,32)(H,33,34)