1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene Openeye Name: 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene CAS Name: 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene Traditional Name: 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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