2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]cyclohexa-1,3-diene IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O

Isomeric SMILES

CCC(CO)(CO)CO.C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O

InChI

InChI=1S/C15H14N2O2.C6H14O3/c18-12-16-14(7-3-1-4-8-14)11-15(17-13-19)9-5-2-6-10-15;1-2-6(3-7,4-8)5-9/h1-7,9H,8,10-11H2;7-9H,2-5H2,1H3