(1S,2R,7S)-2-hept-1-ynyl-7-methyl-7-phenylmethoxy-3-(phenylsulfonyl)cyclohept-3-en-1-ol

Systemtic Name: (1S,2R,7S)-2-hept-1-ynyl-7-methyl-7-phenylmethoxy-3-(phenylsulfonyl)cyclohept-3-en-1-ol Openeye Name: (1S,2R,7S)-3-(benzenesulfonyl)-7-benzyloxy-2-hept-1-ynyl-7-methyl-cyclohept-3-en-1-ol CAS Name: (1S,2R,7S)-3-(benzenesulfonyl)-2-hept-1-ynyl-7-methyl-7-phenylmethoxy-1-cyclohept-3-enol IUPAC Name: (1S,2R,7S)-3-(benzenesulfonyl)-2-hept-1-ynyl-7-methyl-7-phenylmethoxycyclohept-3-en-1-ol Traditional Name: (1S,2R,7S)-7-benzoxy-3-besyl-2-hept-1-ynyl-7-methyl-cyclohept-3-en-1-ol Formula: C28H34O4S MolecularWeight: 466.63216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34O4S/c1-3-4-5-6-13-19-25-26(33(30,31)24-17-11-8-12-18-24)20-14-21-28(2,27(25)29)32-22-23-15-9-7-10-16-23/h7-12,15-18,20,25,27,29H,3-6,14,21-22H2,1-2H3/t25-,27-,28-/m0/s1