(2-cyanato-3-oxidanyl-phenyl) cyanate; propan-2-one

Systemtic Name: (2-cyanato-3-oxidanyl-phenyl) cyanate; propan-2-one Openeye Name: acetone; (2-cyanato-3-hydroxy-phenyl) cyanate CAS Name: cyanic acid (2-cyanato-3-hydroxyphenyl) ester; 2-propanone IUPAC Name: (2-cyanato-3-hydroxyphenyl) cyanate; propan-2-one Traditional Name: acetone; cyanic acid (2-cyanato-3-hydroxy-phenyl) ester Formula: C19H14N4O7 MolecularWeight: 410.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C1=CC(=C(C(=C1)OC#N)OC#N)O.C1=CC(=C(C(=C1)OC#N)OC#N)O

Isomeric SMILES

CC(=O)C.C1=CC(=C(C(=C1)OC#N)OC#N)O.C1=CC(=C(C(=C1)OC#N)OC#N)O

InChI

InChI=1S/2C8H4N2O3.C3H6O/c2*9-4-12-7-3-1-2-6(11)8(7)13-5-10;1-3(2)4/h2*1-3,11H;1-2H3