[(1S,2R,5S,6R)-2,6-dimethyl-5-phenylmethoxy-3-(phenylsulfonyl)cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1S,2R,5S,6R)-2,6-dimethyl-5-phenylmethoxy-3-(phenylsulfonyl)cyclohex-3-en-1-yl] benzoate Openeye Name: [(1S,2R,5S,6R)-3-(benzenesulfonyl)-5-benzyloxy-2,6-dimethyl-cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1S,2R,5S,6R)-3-(benzenesulfonyl)-2,6-dimethyl-5-phenylmethoxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2R,5S,6R)-3-(benzenesulfonyl)-2,6-dimethyl-5-phenylmethoxycyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,2R,5S,6R)-5-benzoxy-3-besyl-2,6-dimethyl-cyclohex-3-en-1-yl] ester Formula: C28H28O5S MolecularWeight: 476.58392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=C(C(C1OC(=O)C2=CC=CC=C2)C)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1[C@@H](C=C([C@@H]([C@H]1OC(=O)C2=CC=CC=C2)C)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28O5S/c1-20-25(32-19-22-12-6-3-7-13-22)18-26(34(30,31)24-16-10-5-11-17-24)21(2)27(20)33-28(29)23-14-8-4-9-15-23/h3-18,20-21,25,27H,19H2,1-2H3/t20-,21+,25-,27+/m1/s1