3-[(1-cyano-2H-naphthalen-1-yl)oxy]-4,5-bis(oxidanyl)thian-2-olate

Systemtic Name: 3-[(1-cyano-2H-naphthalen-1-yl)oxy]-4,5-bis(oxidanyl)thian-2-olate Openeye Name: 3-[(1-cyano-2H-naphthalen-1-yl)oxy]-4,5-dihydroxy-tetrahydrothiopyran-2-olate CAS Name: 3-[(1-cyano-2H-naphthalen-1-yl)oxy]-4,5-dihydroxy-2-thianolate IUPAC Name: 3-[(1-cyano-2H-naphthalen-1-yl)oxy]-4,5-dihydroxythian-2-olate Traditional Name: 3-[(1-cyano-2H-naphthalen-1-yl)oxy]-4,5-dihydroxy-tetrahydrothiopyran-2-olate Formula: C16H16NO4S- MolecularWeight: 318.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=CC=CC=C2C1(C#N)OC3C(C(CSC3[O-])O)O

Isomeric SMILES

C1C=CC2=CC=CC=C2C1(C#N)OC3C(C(CSC3[O-])O)O

InChI

InChI=1S/C16H16NO4S/c17-9-16(7-3-5-10-4-1-2-6-11(10)16)21-14-13(19)12(18)8-22-15(14)20/h1-6,12-15,18-19H,7-8H2/q-1