(1S,2S,5S)-2,5-dimethyl-5-phenylmethoxy-3-(phenylsulfonyl)cyclohept-3-en-1-ol

Systemtic Name: (1S,2S,5S)-2,5-dimethyl-5-phenylmethoxy-3-(phenylsulfonyl)cyclohept-3-en-1-ol Openeye Name: (1S,2S,5S)-3-(benzenesulfonyl)-5-benzyloxy-2,5-dimethyl-cyclohept-3-en-1-ol CAS Name: (1S,2S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-5-phenylmethoxy-1-cyclohept-3-enol IUPAC Name: (1S,2S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-5-phenylmethoxycyclohept-3-en-1-ol Traditional Name: (1S,2S,5S)-5-benzoxy-3-besyl-2,5-dimethyl-cyclohept-3-en-1-ol Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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