1,4-bis(isocyanatomethyl)cyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexane

Systemtic Name: 1,4-bis(isocyanatomethyl)cyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexane Openeye Name: 1,4-bis(isocyanatomethyl)cyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexane CAS Name: 1,4-bis(isocyanatomethyl)cyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methylcyclohexyl)methyl]-2-methylcyclohexane IUPAC Name: 1,4-bis(isocyanatomethyl)cyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methylcyclohexyl)methyl]-2-methylcyclohexane Traditional Name: 1,4-bis(isocyanatomethyl)cyclohexane; 1-isocyanato-4-[(4-isocyanato-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexane Formula: C27H40N4O4 MolecularWeight: 484.6309

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N=C=O)CC2CCC(C(C2)C)N=C=O.C1CC(CCC1CN=C=O)CN=C=O

Isomeric SMILES

CC1CC(CCC1N=C=O)CC2CCC(C(C2)C)N=C=O.C1CC(CCC1CN=C=O)CN=C=O

InChI

InChI=1S/C17H26N2O2.C10H14N2O2/c1-12-7-14(3-5-16(12)18-10-20)9-15-4-6-17(19-11-21)13(2)8-15;13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h12-17H,3-9H2,1-2H3;9-10H,1-6H2