2-[1-oxidanyl-1-oxidanylidene-4-(4-phenylphenyl)butan-2-yl]sulfanylcarbonylbenzoic acid

Systemtic Name: 2-[1-oxidanyl-1-oxidanylidene-4-(4-phenylphenyl)butan-2-yl]sulfanylcarbonylbenzoic acid Openeye Name: 2-[1-carboxy-3-(4-phenylphenyl)propyl]sulfanylcarbonylbenzoic acid CAS Name: 2-[[[1-hydroxy-1-oxo-4-(4-phenylphenyl)butan-2-yl]thio]-oxomethyl]benzoic acid IUPAC Name: 2-[1-hydroxy-1-oxo-4-(4-phenylphenyl)butan-2-yl]sulfanylcarbonylbenzoic acid Traditional Name: 2-[[1-carboxy-3-(4-phenylphenyl)propyl]thio]carbonylbenzoic acid Formula: C24H20O5S MolecularWeight: 420.4776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(C(=O)O)SC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(C(=O)O)SC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H20O5S/c25-22(26)19-8-4-5-9-20(19)24(29)30-21(23(27)28)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-11,13-14,21H,12,15H2,(H,25,26)(H,27,28)