dimethyl 3-ethynyl-3-(phenylsulfonyl)-4-(phenylsulfonylmethyl)cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl 3-ethynyl-3-(phenylsulfonyl)-4-(phenylsulfonylmethyl)cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl 3-(benzenesulfonyl)-4-(benzenesulfonylmethyl)-3-ethynyl-cyclohexane-1,1-dicarboxylate CAS Name: 3-(benzenesulfonyl)-4-(benzenesulfonylmethyl)-3-ethynylcyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(benzenesulfonyl)-4-(benzenesulfonylmethyl)-3-ethynylcyclohexane-1,1-dicarboxylate Traditional Name: 3-besyl-4-(besylmethyl)-3-ethynyl-cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C25H26O8S2 MolecularWeight: 518.59914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(C(C1)(C#C)S(=O)(=O)C2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(CCC(C(C1)(C#C)S(=O)(=O)C2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H26O8S2/c1-4-25(35(30,31)21-13-9-6-10-14-21)18-24(22(26)32-2,23(27)33-3)16-15-19(25)17-34(28,29)20-11-7-5-8-12-20/h1,5-14,19H,15-18H2,2-3H3