2-[1,3-benzodioxol-5-yl-(2-carboxyphenyl)sulfanyl-methyl]sulfanylbenzoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-yl-(2-carboxyphenyl)sulfanyl-methyl]sulfanylbenzoic acid Openeye Name: 2-[1,3-benzodioxol-5-yl-(2-carboxyphenyl)sulfanyl-methyl]sulfanylbenzoic acid CAS Name: 2-[[1,3-benzodioxol-5-yl-[(2-carboxyphenyl)thio]methyl]thio]benzoic acid IUPAC Name: 2-[1,3-benzodioxol-5-yl-(2-carboxyphenyl)sulfanylmethyl]sulfanylbenzoic acid Traditional Name: 2-[[1,3-benzodioxol-5-yl-[(2-carboxyphenyl)thio]methyl]thio]benzoic acid Formula: C22H16O6S2 MolecularWeight: 440.48884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(SC3=CC=CC=C3C(=O)O)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(SC3=CC=CC=C3C(=O)O)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H16O6S2/c23-20(24)14-5-1-3-7-18(14)29-22(13-9-10-16-17(11-13)28-12-27-16)30-19-8-4-2-6-15(19)21(25)26/h1-11,22H,12H2,(H,23,24)(H,25,26)