3-(2-methylpropoxy)-6-[(3E)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-one

Systemtic Name: 3-(2-methylpropoxy)-6-[(3E)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-one Openeye Name: 3-isobutoxy-6-[(3E)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-one CAS Name: 3-(2-methylpropoxy)-6-[(3E)-4-(phenylthio)hexa-3,5-dienyl]-1-cyclohex-2-enone IUPAC Name: 3-(2-methylpropoxy)-6-[(3E)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-one Traditional Name: 3-isobutoxy-6-[(3E)-4-(phenylthio)hexa-3,5-dienyl]cyclohex-2-en-1-one Formula: C22H28O2S MolecularWeight: 356.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=O)C(CC1)CCC=C(C=C)SC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC(=O)C(CC1)CC/C=C(\C=C)/SC2=CC=CC=C2

InChI

InChI=1S/C22H28O2S/c1-4-20(25-21-10-6-5-7-11-21)12-8-9-18-13-14-19(15-22(18)23)24-16-17(2)3/h4-7,10-12,15,17-18H,1,8-9,13-14,16H2,2-3H3/b20-12+