6,6-dimethyl-3-(phenylsulfanylmethyl)cyclohex-2-en-1-one

Systemtic Name: 6,6-dimethyl-3-(phenylsulfanylmethyl)cyclohex-2-en-1-one Openeye Name: 6,6-dimethyl-3-(phenylsulfanylmethyl)cyclohex-2-en-1-one CAS Name: 6,6-dimethyl-3-[(phenylthio)methyl]-1-cyclohex-2-enone IUPAC Name: 6,6-dimethyl-3-(phenylsulfanylmethyl)cyclohex-2-en-1-one Traditional Name: 6,6-dimethyl-3-[(phenylthio)methyl]cyclohex-2-en-1-one Formula: C15H18OS MolecularWeight: 246.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC1=O)CSC2=CC=CC=C2)C

Isomeric SMILES

CC1(CCC(=CC1=O)CSC2=CC=CC=C2)C

InChI

InChI=1S/C15H18OS/c1-15(2)9-8-12(10-14(15)16)11-17-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3