3-[2-[(3-cyanophenyl)-oxidanyl-methyl]phenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate

Systemtic Name: 3-[2-[(3-cyanophenyl)-oxidanyl-methyl]phenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate Openeye Name: 3-[2-[(3-cyanophenyl)-hydroxy-methyl]phenoxy]-4,5-dihydroxy-tetrahydrothiopyran-2-thiolate CAS Name: 3-[2-[(3-cyanophenyl)-hydroxymethyl]phenoxy]-4,5-dihydroxy-2-thianethiolate IUPAC Name: 3-[2-[(3-cyanophenyl)-hydroxymethyl]phenoxy]-4,5-dihydroxythiane-2-thiolate Traditional Name: 3-[2-[(3-cyanophenyl)-hydroxy-methyl]phenoxy]-4,5-dihydroxy-tetrahydrothiopyran-2-thiolate Formula: C19H18NO4S2- MolecularWeight: 388.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)[S-])OC2=CC=CC=C2C(C3=CC=CC(=C3)C#N)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)[S-])OC2=CC=CC=C2C(C3=CC=CC(=C3)C#N)O)O)O

InChI

InChI=1S/C19H19NO4S2/c20-9-11-4-3-5-12(8-11)16(22)13-6-1-2-7-15(13)24-18-17(23)14(21)10-26-19(18)25/h1-8,14,16-19,21-23,25H,10H2/p-1