2,2-dimethyl-3-[(3E,7E)-3-methyl-9-(3-methylphenyl)sulfanyl-nona-3,7-dienyl]oxirane

Systemtic Name: 2,2-dimethyl-3-[(3E,7E)-3-methyl-9-(3-methylphenyl)sulfanyl-nona-3,7-dienyl]oxirane Openeye Name: 2,2-dimethyl-3-[(3E,7E)-3-methyl-9-(m-tolylsulfanyl)nona-3,7-dienyl]oxirane CAS Name: 2,2-dimethyl-3-[(3E,7E)-3-methyl-9-[(3-methylphenyl)thio]nona-3,7-dienyl]oxirane IUPAC Name: 2,2-dimethyl-3-[(3E,7E)-3-methyl-9-(3-methylphenyl)sulfanylnona-3,7-dienyl]oxirane Traditional Name: 2,2-dimethyl-3-[(3E,7E)-3-methyl-9-(m-tolylthio)nona-3,7-dienyl]oxirane Formula: C21H30OS MolecularWeight: 330.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC=CCCC=C(C)CCC2C(O2)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)SC/C=C/CC/C=C(\C)/CCC2C(O2)(C)C

InChI

InChI=1S/C21H30OS/c1-17(13-14-20-21(3,4)22-20)10-7-5-6-8-15-23-19-12-9-11-18(2)16-19/h6,8-12,16,20H,5,7,13-15H2,1-4H3/b8-6+,17-10+