1,4-diisocyanatobenzene; 1,5-diisocyanato-2,4-dimethyl-benzene

Systemtic Name: 1,4-diisocyanatobenzene; 1,5-diisocyanato-2,4-dimethyl-benzene Openeye Name: 1,4-diisocyanatobenzene; 1,5-diisocyanato-2,4-dimethyl-benzene CAS Name: 1,4-diisocyanatobenzene; 1,5-diisocyanato-2,4-dimethylbenzene IUPAC Name: 1,4-diisocyanatobenzene; 1,5-diisocyanato-2,4-dimethylbenzene Traditional Name: 1,4-diisocyanatobenzene; 1,5-diisocyanato-2,4-dimethyl-benzene Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O2.C8H4N2O2/c1-7-3-8(2)10(12-6-14)4-9(7)11-5-13;11-5-9-7-1-2-8(4-3-7)10-6-12/h3-4H,1-2H3;1-4H