1-[(3E,7E,11E)-2,3-dimethyltrideca-3,7,11-trien-2-yl]sulfanyl-4-methyl-benzene

Systemtic Name: 1-[(3E,7E,11E)-2,3-dimethyltrideca-3,7,11-trien-2-yl]sulfanyl-4-methyl-benzene Openeye Name: 1-methyl-4-[(2E,6E,10E)-1,1,2-trimethyldodeca-2,6,10-trienyl]sulfanyl-benzene CAS Name: 1-[[(3E,7E,11E)-2,3-dimethyltrideca-3,7,11-trien-2-yl]thio]-4-methylbenzene IUPAC Name: 1-[(3E,7E,11E)-2,3-dimethyltrideca-3,7,11-trien-2-yl]sulfanyl-4-methylbenzene Traditional Name: 1-methyl-4-[[(2E,6E,10E)-1,1,2-trimethyldodeca-2,6,10-trienyl]thio]benzene Formula: C22H32S MolecularWeight: 328.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC=CCCC=C(C)C(C)(C)SC1=CC=C(C=C1)C

Isomeric SMILES

C/C=C/CC/C=C/CC/C=C(\C)/C(C)(C)SC1=CC=C(C=C1)C

InChI

InChI=1S/C22H32S/c1-6-7-8-9-10-11-12-13-14-20(3)22(4,5)23-21-17-15-19(2)16-18-21/h6-7,10-11,14-18H,8-9,12-13H2,1-5H3/b7-6+,11-10+,20-14+