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

Systemtic Name: 4-[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanylphenyl]sulfonylbenzonitrile CAS Name: 4-[4-[(3,4,5-trihydroxy-2-thianyl)thio]phenyl]sulfonylbenzonitrile IUPAC Name: 4-[4-(3,4,5-trihydroxythian-2-yl)sulfanylphenyl]sulfonylbenzonitrile Traditional Name: 4-[4-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]phenyl]sulfonylbenzonitrile Formula: C18H17NO5S3 MolecularWeight: 423.52628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S3/c19-9-11-1-5-13(6-2-11)27(23,24)14-7-3-12(4-8-14)26-18-17(22)16(21)15(20)10-25-18/h1-8,15-18,20-22H,10H2