3-[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoic acid

Systemtic Name: 3-[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoic acid Openeye Name: 3-[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoic acid CAS Name: 3-[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]benzoic acid IUPAC Name: 3-[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoic acid Traditional Name: 3-[[2-hydroxy-3-keto-3-methoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]benzoic acid Formula: C31H36O5S MolecularWeight: 520.67954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

COC(=O)C(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C31H36O5S/c1-36-31(35)28(32)29(37-26-20-13-19-25(22-26)30(33)34)27-21-12-11-18-24(27)17-10-5-3-2-4-7-14-23-15-8-6-9-16-23/h6,8-9,11-13,15-16,18-22,28-29,32H,2-5,7,10,14,17H2,1H3,(H,33,34)