(1S,2R,7S)-2,7-dimethyl-7-phenylmethoxy-3-(phenylsulfonyl)cyclohept-3-en-1-ol

Systemtic Name: (1S,2R,7S)-2,7-dimethyl-7-phenylmethoxy-3-(phenylsulfonyl)cyclohept-3-en-1-ol Openeye Name: (1S,2R,7S)-3-(benzenesulfonyl)-7-benzyloxy-2,7-dimethyl-cyclohept-3-en-1-ol CAS Name: (1S,2R,7S)-3-(benzenesulfonyl)-2,7-dimethyl-7-phenylmethoxy-1-cyclohept-3-enol IUPAC Name: (1S,2R,7S)-3-(benzenesulfonyl)-2,7-dimethyl-7-phenylmethoxycyclohept-3-en-1-ol Traditional Name: (1S,2R,7S)-7-benzoxy-3-besyl-2,7-dimethyl-cyclohept-3-en-1-ol Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CCC=C1S(=O)(=O)C2=CC=CC=C2)(C)OCC3=CC=CC=C3)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@](CCC=C1S(=O)(=O)C2=CC=CC=C2)(C)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H26O4S/c1-17-20(27(24,25)19-12-7-4-8-13-19)14-9-15-22(2,21(17)23)26-16-18-10-5-3-6-11-18/h3-8,10-14,17,21,23H,9,15-16H2,1-2H3/t17-,21-,22-/m0/s1