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

Systemtic Name: 4-[3,4,5-tris(oxidanyl)thian-2-yl]oxybenzenecarbonitrile Openeye Name: 4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxybenzonitrile CAS Name: 4-[(3,4,5-trihydroxy-2-thianyl)oxy]benzonitrile IUPAC Name: 4-(3,4,5-trihydroxythian-2-yl)oxybenzonitrile Traditional Name: 4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxybenzonitrile Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)OC2=CC=C(C=C2)C#N)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)OC2=CC=C(C=C2)C#N)O)O)O

InChI

InChI=1S/C12H13NO4S/c13-5-7-1-3-8(4-2-7)17-12-11(16)10(15)9(14)6-18-12/h1-4,9-12,14-16H,6H2