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

Systemtic Name: 3-[2-(4-cyanophenyl)carbonylphenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate Openeye Name: 3-[2-(4-cyanobenzoyl)phenoxy]-4,5-dihydroxy-tetrahydrothiopyran-2-thiolate CAS Name: 3-[2-[(4-cyanophenyl)-oxomethyl]phenoxy]-4,5-dihydroxy-2-thianethiolate IUPAC Name: 3-[2-(4-cyanobenzoyl)phenoxy]-4,5-dihydroxythiane-2-thiolate Traditional Name: 3-[2-(4-cyanobenzoyl)phenoxy]-4,5-dihydroxy-tetrahydrothiopyran-2-thiolate Formula: C19H16NO4S2- MolecularWeight: 386.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4S2/c20-9-11-5-7-12(8-6-11)16(22)13-3-1-2-4-15(13)24-18-17(23)14(21)10-26-19(18)25/h1-8,14,17-19,21,23,25H,10H2/p-1