dimethyl (3S,5R)-3-ethynyl-3,5-bis(phenylsulfonyl)cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl (3S,5R)-3-ethynyl-3,5-bis(phenylsulfonyl)cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl (3S,5R)-3,5-bis(benzenesulfonyl)-3-ethynyl-cyclohexane-1,1-dicarboxylate CAS Name: (3S,5R)-3,5-bis(benzenesulfonyl)-3-ethynylcyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,5R)-3,5-bis(benzenesulfonyl)-3-ethynylcyclohexane-1,1-dicarboxylate Traditional Name: (3S,5R)-3,5-dibesyl-3-ethynyl-cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C24H24O8S2 MolecularWeight: 504.57256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1(C[C@H](C[C@@](C1)(C#C)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H24O8S2/c1-4-23(34(29,30)19-13-9-6-10-14-19)15-20(33(27,28)18-11-7-5-8-12-18)16-24(17-23,21(25)31-2)22(26)32-3/h1,5-14,20H,15-17H2,2-3H3/t20-,23+/m0/s1