isocyanatooxybenzene; 1-(2-isocyanatooxyphenyl)propane-1,3-diol

Systemtic Name: isocyanatooxybenzene; 1-(2-isocyanatooxyphenyl)propane-1,3-diol Openeye Name: isocyanatooxybenzene; 1-(2-isocyanatooxyphenyl)propane-1,3-diol CAS Name: isocyanatooxybenzene; 1-(2-isocyanatooxyphenyl)propane-1,3-diol IUPAC Name: isocyanatooxybenzene; 1-(2-isocyanatooxyphenyl)propane-1,3-diol Traditional Name: isocyanatooxybenzene; 1-(2-isocyanatooxyphenyl)propane-1,3-diol Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)ON=C=O.C1=CC=C(C(=C1)C(CCO)O)ON=C=O

Isomeric SMILES

C1=CC=C(C=C1)ON=C=O.C1=CC=C(C(=C1)C(CCO)O)ON=C=O

InChI

InChI=1S/C10H11NO4.C7H5NO2/c12-6-5-9(14)8-3-1-2-4-10(8)15-11-7-13;9-6-8-10-7-4-2-1-3-5-7/h1-4,9,12,14H,5-6H2;1-5H