9-oxidanylidene-9-phenyl-6-(phenylcarbonyl)-2-sulfanyl-nonanoic acid

Systemtic Name: 9-oxidanylidene-9-phenyl-6-(phenylcarbonyl)-2-sulfanyl-nonanoic acid Openeye Name: 6-benzoyl-9-oxo-9-phenyl-2-sulfanyl-nonanoic acid CAS Name: 6-benzoyl-2-mercapto-9-oxo-9-phenylnonanoic acid IUPAC Name: 6-benzoyl-9-oxo-9-phenyl-2-sulfanylnonanoic acid Traditional Name: 6-benzoyl-9-keto-2-mercapto-9-phenyl-pelargonic acid Formula: C22H24O4S MolecularWeight: 384.48856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC(CCCC(C(=O)O)S)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC(CCCC(C(=O)O)S)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24O4S/c23-19(16-8-3-1-4-9-16)15-14-18(12-7-13-20(27)22(25)26)21(24)17-10-5-2-6-11-17/h1-6,8-11,18,20,27H,7,12-15H2,(H,25,26)