1,3-diisocyanato-2-methyl-benzene

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene Openeye Name: 1,3-diisocyanato-2-methyl-benzene CAS Name: 1,3-diisocyanato-2-methylbenzene IUPAC Name: 1,3-diisocyanato-2-methylbenzene Traditional Name: 1,3-diisocyanato-2-methyl-benzene Formula: C27H18N6O6 MolecularWeight: 522.46842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H6N2O2/c3*1-7-8(10-5-12)3-2-4-9(7)11-6-13/h3*2-4H,1H3