[5-[3-(2-chloranylcyclopenten-1-yl)-3-oxidanylidene-propyl]-2,3-dimethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-[3-(2-chloranylcyclopenten-1-yl)-3-oxidanylidene-propyl]-2,3-dimethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-[3-(2-chlorocyclopenten-1-yl)-3-oxo-propyl]-2,3-dimethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[3-(2-chloro-1-cyclopentenyl)-3-oxopropyl]-2,3-dimethoxyphenyl] ester IUPAC Name: [5-[3-(2-chlorocyclopenten-1-yl)-3-oxopropyl]-2,3-dimethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[3-(2-chlorocyclopenten-1-yl)-3-keto-propyl]-2,3-dimethoxy-phenyl] ester Formula: C23H25ClO6S MolecularWeight: 464.959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)OC)CCC(=O)C3=C(CCC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)OC)CCC(=O)C3=C(CCC3)Cl

InChI

InChI=1S/C23H25ClO6S/c1-15-7-10-17(11-8-15)31(26,27)30-22-14-16(13-21(28-2)23(22)29-3)9-12-20(25)18-5-4-6-19(18)24/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3