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

Systemtic Name: 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; propane-1,2-diol Openeye Name: 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; propane-1,2-diol CAS Name: 5-isocyanato-5-[(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]cyclohexa-1,3-diene; propane-1,2-diol IUPAC Name: 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; propane-1,2-diol Traditional Name: 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; propane-1,2-diol Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2.C3H8O2/c18-12-16-14(7-3-1-4-8-14)11-15(17-13-19)9-5-2-6-10-15;1-3(5)2-4/h1-7,9H,8,10-11H2;3-5H,2H2,1H3