2-(1,3-benzodioxol-5-yloxy)-6-(4-methoxysulfanylphenoxy)benzoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-6-(4-methoxysulfanylphenoxy)benzoic acid Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-6-(4-methoxysulfanylphenoxy)benzoic acid CAS Name: 2-(1,3-benzodioxol-5-yloxy)-6-[4-(methoxythio)phenoxy]benzoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-6-(4-methoxysulfanylphenoxy)benzoic acid Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-6-[4-(methoxythio)phenoxy]benzoic acid Formula: C21H16O7S MolecularWeight: 412.41254

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Descriptors Computed from Structure

Canonical SMILES:

COSC1=CC=C(C=C1)OC2=C(C(=CC=C2)OC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COSC1=CC=C(C=C1)OC2=C(C(=CC=C2)OC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H16O7S/c1-24-29-15-8-5-13(6-9-15)27-17-3-2-4-18(20(17)21(22)23)28-14-7-10-16-19(11-14)26-12-25-16/h2-11H,12H2,1H3,(H,22,23)