4-oxidanyl-5-oxidanylidene-3-(3-sulfopropylsulfanyl)-2-(3-sulfopropylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 4-oxidanyl-5-oxidanylidene-3-(3-sulfopropylsulfanyl)-2-(3-sulfopropylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 4-hydroxy-5-oxo-3-(3-sulfopropylsulfanyl)-2-(3-sulfopropylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 4-hydroxy-5-oxo-3-(3-sulfopropylthio)-2-[(3-sulfopropylthio)methyl]-2-furancarboxylic acid IUPAC Name: 4-hydroxy-5-oxo-3-(3-sulfopropylsulfanyl)-2-(3-sulfopropylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-(3-sulfopropylthio)-2-[(3-sulfopropylthio)methyl]-2-furoic acid Formula: C12H18O11S4 MolecularWeight: 466.52472

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Descriptors Computed from Structure

Canonical SMILES:

C(CSCC1(C(=C(C(=O)O1)O)SCCCS(=O)(=O)O)C(=O)O)CS(=O)(=O)O

Isomeric SMILES

C(CSCC1(C(=C(C(=O)O1)O)SCCCS(=O)(=O)O)C(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C12H18O11S4/c13-8-9(25-4-2-6-27(20,21)22)12(11(15)16,23-10(8)14)7-24-3-1-5-26(17,18)19/h13H,1-7H2,(H,15,16)(H,17,18,19)(H,20,21,22)