dimethyl 3-ethynyl-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(phenylsulfonyl)cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl 3-ethynyl-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(phenylsulfonyl)cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl 3-(benzenesulfonyl)-3-ethynyl-4-(2-methoxy-2-oxo-ethyl)cyclohexane-1,1-dicarboxylate CAS Name: 3-(benzenesulfonyl)-3-ethynyl-4-(2-methoxy-2-oxoethyl)cyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(benzenesulfonyl)-3-ethynyl-4-(2-methoxy-2-oxoethyl)cyclohexane-1,1-dicarboxylate Traditional Name: 3-besyl-3-ethynyl-4-(2-keto-2-methoxy-ethyl)cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C21H24O8S MolecularWeight: 436.47546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCC(CC1(C#C)S(=O)(=O)C2=CC=CC=C2)(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)CC1CCC(CC1(C#C)S(=O)(=O)C2=CC=CC=C2)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H24O8S/c1-5-21(30(25,26)16-9-7-6-8-10-16)14-20(18(23)28-3,19(24)29-4)12-11-15(21)13-17(22)27-2/h1,6-10,15H,11-14H2,2-4H3