2-(1,3-benzodioxol-5-ylsulfanyl)benzoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylsulfanyl)benzoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylsulfanyl)benzoic acid CAS Name: 2-(1,3-benzodioxol-5-ylthio)benzoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylsulfanyl)benzoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylthio)benzoic acid Formula: C14H10O4S MolecularWeight: 274.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C14H10O4S/c15-14(16)10-3-1-2-4-13(10)19-9-5-6-11-12(7-9)18-8-17-11/h1-7H,8H2,(H,15,16)