1,4-diisocyanatocyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methyl-phenyl)methyl]-2-methyl-benzene

Systemtic Name: 1,4-diisocyanatocyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methyl-phenyl)methyl]-2-methyl-benzene Openeye Name: 1,4-diisocyanatocyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methyl-phenyl)methyl]-2-methyl-benzene CAS Name: 1,4-diisocyanatocyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene IUPAC Name: 1,4-diisocyanatocyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene Traditional Name: 1,4-diisocyanatocyclohexane; 1-isocyanato-4-(4-isocyanato-3-methyl-benzyl)-2-methyl-benzene Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N=C=O)C)N=C=O.C1CC(CCC1N=C=O)N=C=O

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N=C=O)C)N=C=O.C1CC(CCC1N=C=O)N=C=O

InChI

InChI=1S/C17H14N2O2.C8H10N2O2/c1-12-7-14(3-5-16(12)18-10-20)9-15-4-6-17(19-11-21)13(2)8-15;11-5-9-7-1-2-8(4-3-7)10-6-12/h3-8H,9H2,1-2H3;7-8H,1-4H2