1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-5-methyl-benzene

Systemtic Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-5-methyl-benzene Openeye Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-5-methyl-benzene CAS Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-5-methylbenzene IUPAC Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-5-methylbenzene Traditional Name: 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-5-methyl-benzene Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C=O)CC2CCCCC2N=C=O

Isomeric SMILES

CC1=CC(=CC(=C1)N=C=O)CC2CCCCC2N=C=O

InChI

InChI=1S/C16H18N2O2/c1-12-6-13(9-15(7-12)17-10-19)8-14-4-2-3-5-16(14)18-11-20/h6-7,9,14,16H,2-5,8H2,1H3