[1-cyanato-6,6-dimethyl-4-(3-methyl-1-phenyl-butyl)cyclohexa-2,4-dien-1-yl] cyanate

Systemtic Name: [1-cyanato-6,6-dimethyl-4-(3-methyl-1-phenyl-butyl)cyclohexa-2,4-dien-1-yl] cyanate Openeye Name: [1-cyanato-6,6-dimethyl-4-(3-methyl-1-phenyl-butyl)cyclohexa-2,4-dien-1-yl] cyanate CAS Name: cyanic acid [1-cyanato-6,6-dimethyl-4-(3-methyl-1-phenylbutyl)-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [1-cyanato-6,6-dimethyl-4-(3-methyl-1-phenylbutyl)cyclohexa-2,4-dien-1-yl] cyanate Traditional Name: cyanic acid [1-cyanato-6,6-dimethyl-4-(3-methyl-1-phenyl-butyl)cyclohexa-2,4-dien-1-yl] ester Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2/c1-16(2)12-19(17-8-6-5-7-9-17)18-10-11-21(24-14-22,25-15-23)20(3,4)13-18/h5-11,13,16,19H,12H2,1-4H3