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

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane Openeye Name: 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane CAS Name: 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane Traditional Name: 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-methylol-propane-1,3-diol; propylene oxide Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O

Isomeric SMILES

CCC(CO)(CO)CO.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O

InChI

InChI=1S/C9H6N2O2.C6H14O3.C3H6O/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-2-6(3-7,4-8)5-9;1-3-2-4-3/h2-4H,1H3;7-9H,2-5H2,1H3;3H,2H2,1H3