1,3-diisocyanato-2-methyl-benzene; isocyanatobenzene

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; isocyanatobenzene Openeye Name: 1,3-diisocyanato-2-methyl-benzene; isocyanatobenzene CAS Name: 1,3-diisocyanato-2-methylbenzene; isocyanatobenzene IUPAC Name: 1,3-diisocyanato-2-methylbenzene; isocyanatobenzene Traditional Name: 1,3-diisocyanato-2-methyl-benzene; isocyanatobenzene Formula: C16H11N3O3 MolecularWeight: 293.27684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=O)N=C=O.C1=CC=C(C=C1)N=C=O

Isomeric SMILES

CC1=C(C=CC=C1N=C=O)N=C=O.C1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C9H6N2O2.C7H5NO/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;9-6-8-7-4-2-1-3-5-7/h2-4H,1H3;1-5H