2,5,5-triisocyanato-3-[(2-isocyanatophenyl)methyl]-6,6-dimethyl-cyclohexa-1,3-diene

Systemtic Name: 2,5,5-triisocyanato-3-[(2-isocyanatophenyl)methyl]-6,6-dimethyl-cyclohexa-1,3-diene Openeye Name: 2,5,5-triisocyanato-3-[(2-isocyanatophenyl)methyl]-6,6-dimethyl-cyclohexa-1,3-diene CAS Name: 2,5,5-triisocyanato-3-[(2-isocyanatophenyl)methyl]-6,6-dimethylcyclohexa-1,3-diene IUPAC Name: 2,5,5-triisocyanato-3-[(2-isocyanatophenyl)methyl]-6,6-dimethylcyclohexa-1,3-diene Traditional Name: 2,5,5-triisocyanato-3-(2-isocyanatobenzyl)-6,6-dimethyl-cyclohexa-1,3-diene Formula: C19H14N4O4 MolecularWeight: 362.33886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=CC1(N=C=O)N=C=O)CC2=CC=CC=C2N=C=O)N=C=O)C

Isomeric SMILES

CC1(C=C(C(=CC1(N=C=O)N=C=O)CC2=CC=CC=C2N=C=O)N=C=O)C

InChI

InChI=1S/C19H14N4O4/c1-18(2)9-17(21-11-25)15(8-19(18,22-12-26)23-13-27)7-14-5-3-4-6-16(14)20-10-24/h3-6,8-9H,7H2,1-2H3