1,3,3-triisocyanato-6-methyl-cyclohexa-1,4-diene

Systemtic Name: 1,3,3-triisocyanato-6-methyl-cyclohexa-1,4-diene Openeye Name: 1,3,3-triisocyanato-6-methyl-cyclohexa-1,4-diene CAS Name: 1,3,3-triisocyanato-6-methylcyclohexa-1,4-diene IUPAC Name: 1,3,3-triisocyanato-6-methylcyclohexa-1,4-diene Traditional Name: 1,3,3-triisocyanato-6-methyl-cyclohexa-1,4-diene Formula: C10H7N3O3 MolecularWeight: 217.18088

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(C=C1N=C=O)(N=C=O)N=C=O

Isomeric SMILES

CC1C=CC(C=C1N=C=O)(N=C=O)N=C=O

InChI

InChI=1S/C10H7N3O3/c1-8-2-3-10(12-6-15,13-7-16)4-9(8)11-5-14/h2-4,8H,1H3