1,4-diisocyanatobenzene; 2,4-diisocyanato-1-methyl-benzene

Systemtic Name: 1,4-diisocyanatobenzene; 2,4-diisocyanato-1-methyl-benzene Openeye Name: 1,4-diisocyanatobenzene; 2,4-diisocyanato-1-methyl-benzene CAS Name: 1,4-diisocyanatobenzene; 2,4-diisocyanato-1-methylbenzene IUPAC Name: 1,4-diisocyanatobenzene; 2,4-diisocyanato-1-methylbenzene Traditional Name: 1,4-diisocyanatobenzene; 2,4-diisocyanato-1-methyl-benzene Formula: C17H10N4O4 MolecularWeight: 334.2857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O2.C8H4N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;11-5-9-7-1-2-8(4-3-7)10-6-12/h2-4H,1H3;1-4H