1,2-diisocyanato-3,4-dimethyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 1,2-diisocyanato-3,4-dimethyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 1,2-diisocyanato-3,4-dimethyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 1,2-diisocyanato-3,4-dimethylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 1,2-diisocyanato-3,4-dimethylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 1,2-diisocyanato-3,4-dimethyl-benzene; 2-ethyl-2-methylol-propane-1,3-diol Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O2.C6H14O3/c1-7-3-4-9(11-5-13)10(8(7)2)12-6-14;1-2-6(3-7,4-8)5-9/h3-4H,1-2H3;7-9H,2-5H2,1H3