(2-isocyanato-3-methyl-cyclohexyl)methylbenzene

Systemtic Name: (2-isocyanato-3-methyl-cyclohexyl)methylbenzene Openeye Name: (2-isocyanato-3-methyl-cyclohexyl)methylbenzene CAS Name: (2-isocyanato-3-methylcyclohexyl)methylbenzene IUPAC Name: (2-isocyanato-3-methylcyclohexyl)methylbenzene Traditional Name: (2-isocyanato-3-methyl-cyclohexyl)methylbenzene Formula: C15H19NO MolecularWeight: 229.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1N=C=O)CC2=CC=CC=C2

Isomeric SMILES

CC1CCCC(C1N=C=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H19NO/c1-12-6-5-9-14(15(12)16-11-17)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-10H2,1H3