1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene; 2-ethyl-2-methylol-propane-1,3-diol Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2.C6H14O3/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18;1-2-6(3-7,4-8)5-9/h5-8H,1-4H3;7-9H,2-5H2,1H3