1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methyl-benzene

Systemtic Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methyl-benzene Openeye Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methyl-benzene CAS Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methylbenzene IUPAC Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methylbenzene Traditional Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methyl-benzene Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=O)CC2CCCCC2N=C=O

Isomeric SMILES

CC1=C(C=CC=C1N=C=O)CC2CCCCC2N=C=O

InChI

InChI=1S/C16H18N2O2/c1-12-13(6-4-8-15(12)17-10-19)9-14-5-2-3-7-16(14)18-11-20/h4,6,8,14,16H,2-3,5,7,9H2,1H3