O1-ethyl O5-methyl O3-propan-2-yl 3-(4-chlorophenyl)sulfonylhexane-1,3,5-tricarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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