4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylbenzene-1,3-dicarbonitrile

Systemtic Name: 4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylbenzene-1,3-dicarbonitrile Openeye Name: 4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanylbenzene-1,3-dicarbonitrile CAS Name: 4-[(3,4,5-trihydroxy-2-thianyl)thio]benzene-1,3-dicarbonitrile IUPAC Name: 4-(3,4,5-trihydroxythian-2-yl)sulfanylbenzene-1,3-dicarbonitrile Traditional Name: 4-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]isophthalonitrile Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S2/c14-4-7-1-2-10(8(3-7)5-15)20-13-12(18)11(17)9(16)6-19-13/h1-3,9,11-13,16-18H,6H2