1-methyl-3-[(2E)-7-methylocta-2,6-dienyl]sulfanyl-benzene

Systemtic Name: 1-methyl-3-[(2E)-7-methylocta-2,6-dienyl]sulfanyl-benzene Openeye Name: 1-methyl-3-[(2E)-7-methylocta-2,6-dienyl]sulfanyl-benzene CAS Name: 1-methyl-3-[[(2E)-7-methylocta-2,6-dienyl]thio]benzene IUPAC Name: 1-methyl-3-[(2E)-7-methylocta-2,6-dienyl]sulfanylbenzene Traditional Name: 1-methyl-3-[[(2E)-7-methylocta-2,6-dienyl]thio]benzene Formula: C16H22S MolecularWeight: 246.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22S/c1-14(2)9-6-4-5-7-12-17-16-11-8-10-15(3)13-16/h5,7-11,13H,4,6,12H2,1-3H3/b7-5+