[(5S)-5-chloranyl-3-(4-methylphenyl)carbonyloxy-5-oxidanyl-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(5S)-5-chloranyl-3-(4-methylphenyl)carbonyloxy-5-oxidanyl-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(5S)-5-chloro-5-hydroxy-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(5S)-5-chloro-5-hydroxy-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(5S)-5-chloro-5-hydroxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(5S)-5-chloro-5-hydroxy-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H21ClO6 MolecularWeight: 404.84084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)(O)Cl)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(C[C@@](O2)(O)Cl)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21ClO6/c1-13-3-7-15(8-4-13)19(23)26-12-18-17(11-21(22,25)28-18)27-20(24)16-9-5-14(2)6-10-16/h3-10,17-18,25H,11-12H2,1-2H3/t17?,18?,21-/m0/s1