2-(ethanoylsulfanylmethyl)-3,3-dimethyl-4-oxidanylidene-4-(4-phenylphenyl)butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3,3-dimethyl-4-oxidanylidene-4-(4-phenylphenyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3,3-dimethyl-4-oxo-4-(4-phenylphenyl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-3,3-dimethyl-4-oxo-4-(4-phenylphenyl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3,3-dimethyl-4-oxo-4-(4-phenylphenyl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-4-keto-3,3-dimethyl-4-(4-phenylphenyl)butyric acid Formula: C21H22O4S MolecularWeight: 370.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)O)C(C)(C)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(C(=O)O)C(C)(C)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H22O4S/c1-14(22)26-13-18(20(24)25)21(2,3)19(23)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,24,25)