dimethyl 3-[3-oxidanylidene-2-(phenylsulfonyl)butyl]cyclohex-3-ene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-[3-oxidanylidene-2-(phenylsulfonyl)butyl]cyclohex-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-[2-(benzenesulfonyl)-3-oxo-butyl]cyclohex-3-ene-1,1-dicarboxylate CAS Name: 3-[2-(benzenesulfonyl)-3-oxobutyl]cyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[2-(benzenesulfonyl)-3-oxobutyl]cyclohex-3-ene-1,1-dicarboxylate Traditional Name: 3-(2-besyl-3-keto-butyl)cyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester Formula: C20H24O7S MolecularWeight: 408.46536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CCCC(C1)(C(=O)OC)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CC1=CCCC(C1)(C(=O)OC)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24O7S/c1-14(21)17(28(24,25)16-9-5-4-6-10-16)12-15-8-7-11-20(13-15,18(22)26-2)19(23)27-3/h4-6,8-10,17H,7,11-13H2,1-3H3