O1,O2-diethyl O4-propan-2-yl 4-(4-chlorophenyl)sulfonylbutane-1,2,4-tricarboxylate

Systemtic Name: O1,O2-diethyl O4-propan-2-yl 4-(4-chlorophenyl)sulfonylbutane-1,2,4-tricarboxylate Openeye Name: O1,O2-diethyl O4-isopropyl 4-(4-chlorophenyl)sulfonylbutane-1,2,4-tricarboxylate CAS Name: 4-(4-chlorophenyl)sulfonylbutane-1,2,4-tricarboxylic acid O1,O2-diethyl ester O4-propan-2-yl ester IUPAC Name: 1-O,2-O-diethyl 4-O-propan-2-yl 4-(4-chlorophenyl)sulfonylbutane-1,2,4-tricarboxylate Traditional Name: 4-(4-chlorophenyl)sulfonylbutane-1,2,4-tricarboxylic acid O1,O2-diethyl ester O4-isopropyl ester Formula: C20H27ClO8S MolecularWeight: 462.94158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClO8S/c1-5-27-18(22)12-14(19(23)28-6-2)11-17(20(24)29-13(3)4)30(25,26)16-9-7-15(21)8-10-16/h7-10,13-14,17H,5-6,11-12H2,1-4H3