(4S,5S)-4-chloranyl-5-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-phenylsulfanyl-oxolan-3-one

Systemtic Name: (4S,5S)-4-chloranyl-5-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-phenylsulfanyl-oxolan-3-one Openeye Name: (4S,5S)-4-chloro-5-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-phenylsulfanyl-tetrahydrofuran-3-one CAS Name: (4S,5S)-4-chloro-5-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-(phenylthio)-3-oxolanone IUPAC Name: (4S,5S)-4-chloro-5-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-phenylsulfanyloxolan-3-one Traditional Name: (4S,5S)-4-chloro-5-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-(phenylthio)tetrahydrofuran-3-one Formula: C20H21ClO4S MolecularWeight: 392.89634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(C(O1)C2=CC(=C(C=C2)OC)OC)(SC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1(C(=O)[C@@]([C@@H](O1)C2=CC(=C(C=C2)OC)OC)(SC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C20H21ClO4S/c1-19(2)18(22)20(21,26-14-8-6-5-7-9-14)17(25-19)13-10-11-15(23-3)16(12-13)24-4/h5-12,17H,1-4H3/t17-,20+/m0/s1