O1,O5-dimethyl O3-propan-2-yl 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylate

Systemtic Name: O1,O5-dimethyl O3-propan-2-yl 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylate Openeye Name: O3-isopropyl O1,O5-dimethyl 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylate CAS Name: 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylic acid O1,O5-dimethyl ester O3-propan-2-yl ester IUPAC Name: 1-O,5-O-dimethyl 3-O-propan-2-yl 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylate Traditional Name: 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylic acid O3-isopropyl ester O1,O5-dimethyl ester Formula: C19H25ClO8S MolecularWeight: 448.915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCC(=O)OC)(CCC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)OC(=O)C(CCC(=O)OC)(CCC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C19H25ClO8S/c1-13(2)28-18(23)19(11-9-16(21)26-3,12-10-17(22)27-4)29(24,25)15-7-5-14(20)6-8-15/h5-8,13H,9-12H2,1-4H3