1-isothiocyanato-1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane

Systemtic Name: 1-isothiocyanato-1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane Openeye Name: 4-[(1E,3E)-1,5-dimethylhexa-1,3-dienyl]-1-isothiocyanato-1-methyl-cyclohexane CAS Name: 1-isothiocyanato-1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane IUPAC Name: 1-isothiocyanato-1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane Traditional Name: 4-[(1E,3E)-1,5-dimethylhexa-1,3-dienyl]-1-isothiocyanato-1-methyl-cyclohexane Formula: C16H25NS MolecularWeight: 263.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC=C(C)C1CCC(CC1)(C)N=C=S

Isomeric SMILES

CC(C)/C=C/C=C(\C)/C1CCC(CC1)(C)N=C=S

InChI

InChI=1S/C16H25NS/c1-13(2)6-5-7-14(3)15-8-10-16(4,11-9-15)17-12-18/h5-7,13,15H,8-11H2,1-4H3/b6-5+,14-7+