[(2E,5E)-4-isocyanato-3,5-dimethyl-hepta-2,5-dien-4-yl]benzene

Systemtic Name: [(2E,5E)-4-isocyanato-3,5-dimethyl-hepta-2,5-dien-4-yl]benzene Openeye Name: [(E)-1-isocyanato-2-methyl-1-[(E)-1-methylprop-1-enyl]but-2-enyl]benzene CAS Name: [(2E,5E)-4-isocyanato-3,5-dimethylhepta-2,5-dien-4-yl]benzene IUPAC Name: [(2E,5E)-4-isocyanato-3,5-dimethylhepta-2,5-dien-4-yl]benzene Traditional Name: [(E)-1-isocyanato-2-methyl-1-[(E)-1-methylprop-1-enyl]but-2-enyl]benzene Formula: C16H19NO MolecularWeight: 241.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(C1=CC=CC=C1)(C(=CC)C)N=C=O

Isomeric SMILES

C/C=C(/C(N=C=O)(/C(=C/C)/C)C1=CC=CC=C1)\C

InChI

InChI=1S/C16H19NO/c1-5-13(3)16(17-12-18,14(4)6-2)15-10-8-7-9-11-15/h5-11H,1-4H3/b13-5+,14-6+