4-(2-methylphenyl)-5-oxidanylidene-5-[3-(phenylmethylsulfanyl)phenyl]pentanoate

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(phenylmethylsulfanyl)phenyl]pentanoate Openeye Name: 5-(3-benzylsulfanylphenyl)-4-(o-tolyl)-5-oxo-pentanoate CAS Name: 4-(2-methylphenyl)-5-oxo-5-[3-(phenylmethylthio)phenyl]pentanoate IUPAC Name: 5-(3-benzylsulfanylphenyl)-4-(2-methylphenyl)-5-oxopentanoate Traditional Name: 5-[3-(benzylthio)phenyl]-5-keto-4-(o-tolyl)valerate Formula: C25H23O3S- MolecularWeight: 403.51332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=CC(=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=CC(=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C25H24O3S/c1-18-8-5-6-13-22(18)23(14-15-24(26)27)25(28)20-11-7-12-21(16-20)29-17-19-9-3-2-4-10-19/h2-13,16,23H,14-15,17H2,1H3,(H,26,27)/p-1