2-[6,7-bis(oxidanyl)naphthalen-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6,7-bis(oxidanyl)naphthalen-2-yl]sulfanylethanenitrile Openeye Name: 2-[(6,7-dihydroxy-2-naphthyl)sulfanyl]acetonitrile CAS Name: 2-[(6,7-dihydroxy-2-naphthalenyl)thio]acetonitrile IUPAC Name: 2-(6,7-dihydroxynaphthalen-2-yl)sulfanylacetonitrile Traditional Name: 2-[(6,7-dihydroxy-2-naphthyl)thio]acetonitrile Formula: C12H9NO2S MolecularWeight: 231.27036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=CC(=C(C=C21)O)O)SCC#N

Isomeric SMILES

C1=CC(=CC2=CC(=C(C=C21)O)O)SCC#N

InChI

InChI=1S/C12H9NO2S/c13-3-4-16-10-2-1-8-6-11(14)12(15)7-9(8)5-10/h1-2,5-7,14-15H,4H2