4-[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanylbenzoyl]benzonitrile CAS Name: 4-[oxo-[4-[(3,4,5-trihydroxy-2-thianyl)thio]phenyl]methyl]benzonitrile IUPAC Name: 4-[4-(3,4,5-trihydroxythian-2-yl)sulfanylbenzoyl]benzonitrile Traditional Name: 4-[4-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]benzoyl]benzonitrile Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)SC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N)O)O)O

InChI

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