1,1-diisocyanato-2,2-dimethyl-biphenylene; [diisocyanato(phenyl)methyl]benzene

Systemtic Name: 1,1-diisocyanato-2,2-dimethyl-biphenylene; [diisocyanato(phenyl)methyl]benzene Openeye Name: 1,1-diisocyanato-2,2-dimethyl-biphenylene; [diisocyanato(phenyl)methyl]benzene CAS Name: 1,1-diisocyanato-2,2-dimethylbiphenylene; [diisocyanato(phenyl)methyl]benzene IUPAC Name: 1,1-diisocyanato-2,2-dimethylbiphenylene; [diisocyanato(phenyl)methyl]benzene Traditional Name: 1,1-diisocyanato-2,2-dimethyl-biphenylene; [diisocyanato(phenyl)methyl]benzene Formula: C31H22N4O4 MolecularWeight: 514.53078

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(C1(N=C=O)N=C=O)C3=CC=CC=C23)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(N=C=O)N=C=O

Isomeric SMILES

CC1(C=CC2=C(C1(N=C=O)N=C=O)C3=CC=CC=C23)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(N=C=O)N=C=O

InChI

InChI=1S/C16H12N2O2.C15H10N2O2/c1-15(2)8-7-13-11-5-3-4-6-12(11)14(13)16(15,17-9-19)18-10-20;18-11-16-15(17-12-19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h3-8H,1-2H3;1-10H