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

Systemtic Name: O1,O5-diethyl O3-propan-2-yl 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylate Openeye Name: O1,O5-diethyl O3-isopropyl 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylate CAS Name: 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylic acid O1,O5-diethyl ester O3-propan-2-yl ester IUPAC Name: 1-O,5-O-diethyl 3-O-propan-2-yl 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylate Traditional Name: 3-(4-chlorophenyl)sulfonylpentane-1,3,5-tricarboxylic acid O1,O5-diethyl ester O3-isopropyl ester Formula: C21H29ClO8S MolecularWeight: 476.96816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClO8S/c1-5-28-18(23)11-13-21(20(25)30-15(3)4,14-12-19(24)29-6-2)31(26,27)17-9-7-16(22)8-10-17/h7-10,15H,5-6,11-14H2,1-4H3