2,4,4-trimethyl-3-[(1E,3E)-3-methyl-5-(phenylsulfonyl)penta-1,3-dienyl]cyclohex-2-en-1-one

Systemtic Name: 2,4,4-trimethyl-3-[(1E,3E)-3-methyl-5-(phenylsulfonyl)penta-1,3-dienyl]cyclohex-2-en-1-one Openeye Name: 3-[(1E,3E)-5-(benzenesulfonyl)-3-methyl-penta-1,3-dienyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 3-[(1E,3E)-5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-[(1E,3E)-5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-[(1E,3E)-5-besyl-3-methyl-penta-1,3-dienyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)C=CC(=CCS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/CS(=O)(=O)C2=CC=CC=C2)/C

InChI

InChI=1S/C21H26O3S/c1-16(13-15-25(23,24)18-8-6-5-7-9-18)10-11-19-17(2)20(22)12-14-21(19,3)4/h5-11,13H,12,14-15H2,1-4H3/b11-10+,16-13+