(2S,3S,6E)-6-(butylsulfanylmethylidene)-2,3-dimethyl-2-(phenylmethoxymethyl)cyclohexan-1-one

Systemtic Name: (2S,3S,6E)-6-(butylsulfanylmethylidene)-2,3-dimethyl-2-(phenylmethoxymethyl)cyclohexan-1-one Openeye Name: (2S,3S,6E)-2-(benzyloxymethyl)-6-(butylsulfanylmethylene)-2,3-dimethyl-cyclohexanone CAS Name: (2S,3S,6E)-6-[(butylthio)methylidene]-2,3-dimethyl-2-(phenylmethoxymethyl)-1-cyclohexanone IUPAC Name: (2S,3S,6E)-6-(butylsulfanylmethylidene)-2,3-dimethyl-2-(phenylmethoxymethyl)cyclohexan-1-one Traditional Name: (2S,3S,6E)-2-(benzoxymethyl)-6-[(butylthio)methylene]-2,3-dimethyl-cyclohexanone Formula: C21H30O2S MolecularWeight: 346.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=C1CCC(C(C1=O)(C)COCC2=CC=CC=C2)C

Isomeric SMILES

CCCCS/C=C/1\CC[C@@H]([C@@](C1=O)(C)COCC2=CC=CC=C2)C

InChI

InChI=1S/C21H30O2S/c1-4-5-13-24-15-19-12-11-17(2)21(3,20(19)22)16-23-14-18-9-7-6-8-10-18/h6-10,15,17H,4-5,11-14,16H2,1-3H3/b19-15+/t17-,21+/m0/s1