2,4-diisocyanato-1-methyl-benzene; hydroxymethylcarbamic acid

Systemtic Name: 2,4-diisocyanato-1-methyl-benzene; hydroxymethylcarbamic acid Openeye Name: 2,4-diisocyanato-1-methyl-benzene; hydroxymethylcarbamic acid CAS Name: 2,4-diisocyanato-1-methylbenzene; hydroxymethylcarbamic acid IUPAC Name: 2,4-diisocyanato-1-methylbenzene; hydroxymethylcarbamic acid Traditional Name: 2,4-diisocyanato-1-methyl-benzene; methylolcarbamic acid Formula: C13H16N4O8 MolecularWeight: 356.28814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C=O)N=C=O.C(NC(=O)O)O.C(NC(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N=C=O)N=C=O.C(NC(=O)O)O.C(NC(=O)O)O

InChI

InChI=1S/C9H6N2O2.2C2H5NO3/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;2*4-1-3-2(5)6/h2-4H,1H3;2*3-4H,1H2,(H,5,6)