benzene-1,2-diol; 2-[2-fluoranyl-3,4-bis(oxidanyl)phenyl]ethanenitrile

Systemtic Name: benzene-1,2-diol; 2-[2-fluoranyl-3,4-bis(oxidanyl)phenyl]ethanenitrile Openeye Name: benzene-1,2-diol; 2-(2-fluoro-3,4-dihydroxy-phenyl)acetonitrile CAS Name: benzene-1,2-diol; 2-(2-fluoro-3,4-dihydroxyphenyl)acetonitrile IUPAC Name: benzene-1,2-diol; 2-(2-fluoro-3,4-dihydroxyphenyl)acetonitrile Traditional Name: 2-(2-fluoro-3,4-dihydroxy-phenyl)acetonitrile; pyrocatechol Formula: C14H12FNO4 MolecularWeight: 277.247783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)O)O.C1=CC(=C(C(=C1CC#N)F)O)O

Isomeric SMILES

C1=CC=C(C(=C1)O)O.C1=CC(=C(C(=C1CC#N)F)O)O

InChI

InChI=1S/C8H6FNO2.C6H6O2/c9-7-5(3-4-10)1-2-6(11)8(7)12;7-5-3-1-2-4-6(5)8/h1-2,11-12H,3H2;1-4,7-8H