4,10,11,11-tetramethyl-7-phenylmethoxy-2-phenylsulfanyl-bicyclo[5.3.1]undec-1(10)-en-5-one

Systemtic Name: 4,10,11,11-tetramethyl-7-phenylmethoxy-2-phenylsulfanyl-bicyclo[5.3.1]undec-1(10)-en-5-one Openeye Name: 7-benzyloxy-4,10,11,11-tetramethyl-2-phenylsulfanyl-bicyclo[5.3.1]undec-1(10)-en-5-one CAS Name: 4,10,11,11-tetramethyl-7-phenylmethoxy-2-(phenylthio)-5-bicyclo[5.3.1]undec-1(10)-enone IUPAC Name: 4,10,11,11-tetramethyl-7-phenylmethoxy-2-phenylsulfanylbicyclo[5.3.1]undec-1(10)-en-5-one Traditional Name: 7-benzoxy-4,10,11,11-tetramethyl-2-(phenylthio)bicyclo[5.3.1]undec-1(10)-en-5-one Formula: C28H34O2S MolecularWeight: 434.63336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(CCC(C2(C)C)(CC1=O)OCC3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CC1CC(C2=C(CCC(C2(C)C)(CC1=O)OCC3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C28H34O2S/c1-20-15-16-28(30-19-22-11-7-5-8-12-22)18-24(29)21(2)17-25(26(20)27(28,3)4)31-23-13-9-6-10-14-23/h5-14,21,25H,15-19H2,1-4H3