S-(1,3-benzodioxol-5-yl) 3,4,5-tris(oxidanyl)benzenecarbothioate

Systemtic Name: S-(1,3-benzodioxol-5-yl) 3,4,5-tris(oxidanyl)benzenecarbothioate Openeye Name: S-(1,3-benzodioxol-5-yl) 3,4,5-trihydroxybenzenecarbothioate CAS Name: 3,4,5-trihydroxybenzenecarbothioic acid S-(1,3-benzodioxol-5-yl) ester IUPAC Name: S-(1,3-benzodioxol-5-yl) 3,4,5-trihydroxybenzenecarbothioate Traditional Name: 3,4,5-trihydroxythiobenzoic acid S-(1,3-benzodioxol-5-yl) ester Formula: C14H10O6S MolecularWeight: 306.2906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)SC(=O)C3=CC(=C(C(=C3)O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)SC(=O)C3=CC(=C(C(=C3)O)O)O

InChI

InChI=1S/C14H10O6S/c15-9-3-7(4-10(16)13(9)17)14(18)21-8-1-2-11-12(5-8)20-6-19-11/h1-5,15-17H,6H2