1-[(2E,6E)-7,11-dimethyldodeca-2,6,10-trienyl]sulfanyl-3-methyl-benzene

Systemtic Name: 1-[(2E,6E)-7,11-dimethyldodeca-2,6,10-trienyl]sulfanyl-3-methyl-benzene Openeye Name: 1-[(2E,6E)-7,11-dimethyldodeca-2,6,10-trienyl]sulfanyl-3-methyl-benzene CAS Name: 1-[[(2E,6E)-7,11-dimethyldodeca-2,6,10-trienyl]thio]-3-methylbenzene IUPAC Name: 1-[(2E,6E)-7,11-dimethyldodeca-2,6,10-trienyl]sulfanyl-3-methylbenzene Traditional Name: 1-[[(2E,6E)-7,11-dimethyldodeca-2,6,10-trienyl]thio]-3-methyl-benzene Formula: C21H30S MolecularWeight: 314.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC=CCCC=C(C)CCC=C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)SC/C=C/CC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C21H30S/c1-18(2)11-9-13-19(3)12-7-5-6-8-16-22-21-15-10-14-20(4)17-21/h6,8,10-12,14-15,17H,5,7,9,13,16H2,1-4H3/b8-6+,19-12+