1-isocyanato-4-[2-(4-isocyanatophenyl)-1-methyl-cyclohexyl]benzene

Systemtic Name: 1-isocyanato-4-[2-(4-isocyanatophenyl)-1-methyl-cyclohexyl]benzene Openeye Name: 1-isocyanato-4-[2-(4-isocyanatophenyl)-1-methyl-cyclohexyl]benzene CAS Name: 1-isocyanato-4-[2-(4-isocyanatophenyl)-1-methylcyclohexyl]benzene IUPAC Name: 1-isocyanato-4-[2-(4-isocyanatophenyl)-1-methylcyclohexyl]benzene Traditional Name: 1-isocyanato-4-[2-(4-isocyanatophenyl)-1-methyl-cyclohexyl]benzene Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1C2=CC=C(C=C2)N=C=O)C3=CC=C(C=C3)N=C=O

Isomeric SMILES

CC1(CCCCC1C2=CC=C(C=C2)N=C=O)C3=CC=C(C=C3)N=C=O

InChI

InChI=1S/C21H20N2O2/c1-21(17-7-11-19(12-8-17)23-15-25)13-3-2-4-20(21)16-5-9-18(10-6-16)22-14-24/h5-12,20H,2-4,13H2,1H3