2-[[2-ethoxycarbonyl-4,5-bis(oxidanylidene)-3-(2-sulfoethylsulfanyl)oxolan-2-yl]methylsulfanyl]ethanesulfonic acid

Systemtic Name: 2-[[2-ethoxycarbonyl-4,5-bis(oxidanylidene)-3-(2-sulfoethylsulfanyl)oxolan-2-yl]methylsulfanyl]ethanesulfonic acid Openeye Name: 2-[[2-ethoxycarbonyl-4,5-dioxo-3-(2-sulfoethylsulfanyl)tetrahydrofuran-2-yl]methylsulfanyl]ethanesulfonic acid CAS Name: 2-[[2-ethoxycarbonyl-4,5-dioxo-3-(2-sulfoethylthio)-2-oxolanyl]methylthio]ethanesulfonic acid IUPAC Name: 2-[[2-ethoxycarbonyl-4,5-dioxo-3-(2-sulfoethylsulfanyl)oxolan-2-yl]methylsulfanyl]ethanesulfonic acid Traditional Name: 2-[[2-carbethoxy-4,5-diketo-3-(2-sulfoethylthio)tetrahydrofuran-2-yl]methylthio]ethanesulfonic acid Formula: C12H18O11S4 MolecularWeight: 466.52472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=O)C(=O)O1)SCCS(=O)(=O)O)CSCCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1(C(C(=O)C(=O)O1)SCCS(=O)(=O)O)CSCCS(=O)(=O)O

InChI

InChI=1S/C12H18O11S4/c1-2-22-11(15)12(7-24-3-5-26(16,17)18)9(8(13)10(14)23-12)25-4-6-27(19,20)21/h9H,2-7H2,1H3,(H,16,17,18)(H,19,20,21)