[1-cyanato-2,6,6-trimethyl-4-(3-methylphenyl)cyclohexa-2,4-dien-1-yl] cyanate

Systemtic Name: [1-cyanato-2,6,6-trimethyl-4-(3-methylphenyl)cyclohexa-2,4-dien-1-yl] cyanate Openeye Name: [1-cyanato-2,6,6-trimethyl-4-(m-tolyl)cyclohexa-2,4-dien-1-yl] cyanate CAS Name: cyanic acid [1-cyanato-2,6,6-trimethyl-4-(3-methylphenyl)-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [1-cyanato-2,6,6-trimethyl-4-(3-methylphenyl)cyclohexa-2,4-dien-1-yl] cyanate Traditional Name: cyanic acid [1-cyanato-2,6,6-trimethyl-4-(m-tolyl)cyclohexa-2,4-dien-1-yl] ester Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(C(C(=C2)C)(OC#N)OC#N)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(C(C(=C2)C)(OC#N)OC#N)(C)C

InChI

InChI=1S/C18H18N2O2/c1-13-6-5-7-15(8-13)16-9-14(2)18(21-11-19,22-12-20)17(3,4)10-16/h5-10H,1-4H3