dodecan-1-amine; (2Z,4E,6E)-2-(4-methylphenyl)-8-oxidanylidene-nona-2,4,6-trienenitrile

Systemtic Name: dodecan-1-amine; (2Z,4E,6E)-2-(4-methylphenyl)-8-oxidanylidene-nona-2,4,6-trienenitrile Openeye Name: dodecan-1-amine; (2Z,4E,6E)-8-oxo-2-(p-tolyl)nona-2,4,6-trienenitrile CAS Name: 1-dodecanamine; (2Z,4E,6E)-2-(4-methylphenyl)-8-oxonona-2,4,6-trienenitrile IUPAC Name: dodecan-1-amine; (2Z,4E,6E)-2-(4-methylphenyl)-8-oxonona-2,4,6-trienenitrile Traditional Name: (2Z,4E,6E)-8-keto-2-(p-tolyl)nona-2,4,6-trienenitrile; laurylamine Formula: C28H42N2O MolecularWeight: 422.64588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN.CC1=CC=C(C=C1)C(=CC=CC=CC(=O)C)C#N

Isomeric SMILES

CCCCCCCCCCCCN.CC1=CC=C(C=C1)/C(=C/C=C/C=C/C(=O)C)/C#N

InChI

InChI=1S/C16H15NO.C12H27N/c1-13-8-10-15(11-9-13)16(12-17)7-5-3-4-6-14(2)18;1-2-3-4-5-6-7-8-9-10-11-12-13/h3-11H,1-2H3;2-13H2,1H3/b5-3+,6-4+,16-7+;