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

Systemtic Name: 1,2-diisocyanatoethane; 1,3-diisocyanato-2-methyl-benzene Openeye Name: 1,2-diisocyanatoethane; 1,3-diisocyanato-2-methyl-benzene CAS Name: 1,2-diisocyanatoethane; 1,3-diisocyanato-2-methylbenzene IUPAC Name: 1,2-diisocyanatoethane; 1,3-diisocyanato-2-methylbenzene Traditional Name: 1,2-diisocyanatoethane; 1,3-diisocyanato-2-methyl-benzene Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O2.C4H4N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;7-3-5-1-2-6-4-8/h2-4H,1H3;1-2H2