[1-cyanato-4-(3,5-dimethylphenyl)-2,6-dimethyl-cyclohexa-2,5-dien-1-yl] cyanate

Systemtic Name: [1-cyanato-4-(3,5-dimethylphenyl)-2,6-dimethyl-cyclohexa-2,5-dien-1-yl] cyanate Openeye Name: [1-cyanato-4-(3,5-dimethylphenyl)-2,6-dimethyl-cyclohexa-2,5-dien-1-yl] cyanate CAS Name: cyanic acid [1-cyanato-4-(3,5-dimethylphenyl)-2,6-dimethyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-cyanato-4-(3,5-dimethylphenyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl] cyanate Traditional Name: cyanic acid [1-cyanato-4-(3,5-dimethylphenyl)-2,6-dimethyl-cyclohexa-2,5-dien-1-yl] ester Formula: C18H18N2O2 MolecularWeight: 294.34772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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