ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Systemtic Name: ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Openeye Name: ethylene glycol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene CAS Name: ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene IUPAC Name: ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Traditional Name: ethylene glycol; 2-ethyl-2-methylol-propane-1,3-diol; 1-isocyanato-4-(4-isocyanatobenzyl)benzene Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CO)O

Isomeric SMILES

CCC(CO)(CO)CO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CO)O

InChI

InChI=1S/C15H10N2O2.C6H14O3.C2H6O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;1-2-6(3-7,4-8)5-9;3-1-2-4/h1-8H,9H2;7-9H,2-5H2,1H3;3-4H,1-2H2