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

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hydroxyethyl prop-2-enoate Openeye Name: 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hydroxyethyl prop-2-enoate CAS Name: 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-propenoic acid 2-hydroxyethyl ester IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hydroxyethyl prop-2-enoate Traditional Name: acrylic acid 2-hydroxyethyl ester; 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-methylol-propane-1,3-diol Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O2.C6H14O3.C5H8O3/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-2-6(3-7,4-8)5-9;1-2-5(7)8-4-3-6/h2-4H,1H3;7-9H,2-5H2,1H3;2,6H,1,3-4H2