1,6-diisocyanatohexane; 1,3-diisocyanato-2-methyl-benzene

Systemtic Name: 1,6-diisocyanatohexane; 1,3-diisocyanato-2-methyl-benzene Openeye Name: 1,6-diisocyanatohexane; 1,3-diisocyanato-2-methyl-benzene CAS Name: 1,6-diisocyanatohexane; 1,3-diisocyanato-2-methylbenzene IUPAC Name: 1,6-diisocyanatohexane; 1,3-diisocyanato-2-methylbenzene Traditional Name: 1,6-diisocyanatohexane; 1,3-diisocyanato-2-methyl-benzene Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=O)N=C=O.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

CC1=C(C=CC=C1N=C=O)N=C=O.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C9H6N2O2.C8H12N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;11-7-9-5-3-1-2-4-6-10-8-12/h2-4H,1H3;1-6H2