1,2-diisocyanato-3-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 1,2-diisocyanato-3-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 1,2-diisocyanato-3-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 1,2-diisocyanato-3-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 1,2-diisocyanato-3-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 1,2-diisocyanato-3-methyl-benzene; 2-ethyl-2-methylol-propane-1,3-diol Formula: C33H32N6O9 MolecularWeight: 656.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC1=C(C(=CC=C1)N=C=O)N=C=O.CC1=C(C(=CC=C1)N=C=O)N=C=O.CC1=C(C(=CC=C1)N=C=O)N=C=O

Isomeric SMILES

CCC(CO)(CO)CO.CC1=C(C(=CC=C1)N=C=O)N=C=O.CC1=C(C(=CC=C1)N=C=O)N=C=O.CC1=C(C(=CC=C1)N=C=O)N=C=O

InChI

InChI=1S/3C9H6N2O2.C6H14O3/c3*1-7-3-2-4-8(10-5-12)9(7)11-6-13;1-2-6(3-7,4-8)5-9/h3*2-4H,1H3;7-9H,2-5H2,1H3