4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-benzoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-benzoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-benzoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(methylthio)benzoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methylsulfanylbenzoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(methylthio)benzoic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CSC1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C15H12O4S/c1-20-14-7-10(2-4-11(14)15(16)17)9-3-5-12-13(6-9)19-8-18-12/h2-7H,8H2,1H3,(H,16,17)