3-[4-cyano-3-(hydroxymethyl)-2-phenyl-phenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)[S-])OC2=C(C(=C(C=C2)C#N)CO)C3=CC=CC=C3)O)O

Isomeric SMILES

C1C(C(C(C(S1)[S-])OC2=C(C(=C(C=C2)C#N)CO)C3=CC=CC=C3)O)O

InChI

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