[4-[1,1-bis(4-cyanato-3,5-dimethyl-phenyl)ethyl]phenyl] cyanate

Systemtic Name: [4-[1,1-bis(4-cyanato-3,5-dimethyl-phenyl)ethyl]phenyl] cyanate Openeye Name: [4-[1,1-bis(4-cyanato-3,5-dimethyl-phenyl)ethyl]phenyl] cyanate CAS Name: cyanic acid [4-[1,1-bis(4-cyanato-3,5-dimethylphenyl)ethyl]phenyl] ester IUPAC Name: [4-[1,1-bis(4-cyanato-3,5-dimethylphenyl)ethyl]phenyl] cyanate Traditional Name: cyanic acid [4-[1,1-bis(4-cyanato-3,5-dimethyl-phenyl)ethyl]phenyl] ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O3/c1-17-10-22(11-18(2)25(17)32-15-29)27(5,21-6-8-24(9-7-21)31-14-28)23-12-19(3)26(33-16-30)20(4)13-23/h6-13H,1-5H3