6-[5-(hydroxymethyl)-4-oxidanyl-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-4-oxidanyl-5-sulfooxy-3-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid

Systemtic Name: 6-[5-(hydroxymethyl)-4-oxidanyl-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-4-oxidanyl-5-sulfooxy-3-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid Openeye Name: 4-hydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(trioxidanylsulfanyloxymethyl)tetrahydrofuran-3-yl]oxy-5-sulfooxy-3-(trioxidanylsulfanyloxy)tetrahydropyran-2-carboxylic acid CAS Name: 4-hydroxy-6-[[4-hydroxy-5-(hydroxymethyl)-2-[(trioxidanylthio)oxymethyl]-3-oxolanyl]oxy]-5-sulfooxy-3-(trioxidanylthio)oxy-2-oxanecarboxylic acid IUPAC Name: 4-hydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-5-sulfooxy-3-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid Traditional Name: 4-hydroxy-6-[4-hydroxy-5-methylol-2-[(trioxidanylthio)oxymethyl]tetrahydrofuran-3-yl]oxy-5-sulfoxy-3-(trioxidanylthio)oxy-tetrahydropyran-2-carboxylic acid Formula: C12H20O20S3 MolecularWeight: 580.4702

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)COSOOO)OC2C(C(C(C(O2)C(=O)O)OSOOO)O)OS(=O)(=O)O)O)O

Isomeric SMILES

C(C1C(C(C(O1)COSOOO)OC2C(C(C(C(O2)C(=O)O)OSOOO)O)OS(=O)(=O)O)O)O

InChI

InChI=1S/C12H20O20S3/c13-1-3-5(14)7(4(24-3)2-23-33-31-29-18)25-12-9(28-35(20,21)22)6(15)8(27-34-32-30-19)10(26-12)11(16)17/h3-10,12-15,18-19H,1-2H2,(H,16,17)(H,20,21,22)