methyl 2,2-dimethyl-3-oxidanyl-4-phenyl-4-phenylsulfanyl-butanoate

Systemtic Name: methyl 2,2-dimethyl-3-oxidanyl-4-phenyl-4-phenylsulfanyl-butanoate Openeye Name: methyl 3-hydroxy-2,2-dimethyl-4-phenyl-4-phenylsulfanyl-butanoate CAS Name: 3-hydroxy-2,2-dimethyl-4-phenyl-4-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,2-dimethyl-4-phenyl-4-phenylsulfanylbutanoate Traditional Name: 3-hydroxy-2,2-dimethyl-4-phenyl-4-(phenylthio)butyric acid methyl ester Formula: C19H22O3S MolecularWeight: 330.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(C1=CC=CC=C1)SC2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

CC(C)(C(C(C1=CC=CC=C1)SC2=CC=CC=C2)O)C(=O)OC

InChI

InChI=1S/C19H22O3S/c1-19(2,18(21)22-3)17(20)16(14-10-6-4-7-11-14)23-15-12-8-5-9-13-15/h4-13,16-17,20H,1-3H3