[3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1-thiophen-2-yl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1-thiophen-2-yl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(4-chlorophenyl)-3-oxo-2-(p-tolylsulfonyloxy)-1-(2-thienyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxy-3-oxo-1-thiophen-2-ylpropyl] ester IUPAC Name: [3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxy-3-oxo-1-thiophen-2-ylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4-chlorophenyl)-3-keto-1-(2-thienyl)-2-tosyloxy-propyl] ester Formula: C27H23ClO7S3 MolecularWeight: 591.11532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CS2)C(C(=O)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CS2)C(C(=O)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H23ClO7S3/c1-18-5-13-22(14-6-18)37(30,31)34-26(24-4-3-17-36-24)27(25(29)20-9-11-21(28)12-10-20)35-38(32,33)23-15-7-19(2)8-16-23/h3-17,26-27H,1-2H3