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

Systemtic Name: [5,6-bis(4-cyanato-3,5-dimethyl-phenyl)cyclohexa-1,5-dien-1-yl] cyanate Openeye Name: [5,6-bis(4-cyanato-3,5-dimethyl-phenyl)cyclohexa-1,5-dien-1-yl] cyanate CAS Name: cyanic acid [5,6-bis(4-cyanato-3,5-dimethylphenyl)-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [5,6-bis(4-cyanato-3,5-dimethylphenyl)cyclohexa-1,5-dien-1-yl] cyanate Traditional Name: cyanic acid [5,6-bis(4-cyanato-3,5-dimethyl-phenyl)cyclohexa-1,5-dien-1-yl] ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC#N)C)C2=C(C(=CCC2)OC#N)C3=CC(=C(C(=C3)C)OC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1OC#N)C)C2=C(C(=CCC2)OC#N)C3=CC(=C(C(=C3)C)OC#N)C

InChI

InChI=1S/C25H21N3O3/c1-15-8-19(9-16(2)24(15)30-13-27)21-6-5-7-22(29-12-26)23(21)20-10-17(3)25(31-14-28)18(4)11-20/h7-11H,5-6H2,1-4H3