2-[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethyl]thio]benzoic acid IUPAC Name: 2-[2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethyl]thio]benzoic acid Formula: C13H12O7S MolecularWeight: 312.29518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(C2C(=O)C(=C(O2)O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(C2C(=O)C(=C(O2)O)O)O

InChI

InChI=1S/C13H12O7S/c14-7(11-9(15)10(16)13(19)20-11)5-21-8-4-2-1-3-6(8)12(17)18/h1-4,7,11,14,16,19H,5H2,(H,17,18)