3,5-bis(oxidanyl)-4-sulfooxy-cyclohexane-1-carboxylic acid

Systemtic Name: 3,5-bis(oxidanyl)-4-sulfooxy-cyclohexane-1-carboxylic acid Openeye Name: 3,5-dihydroxy-4-sulfooxy-cyclohexanecarboxylic acid CAS Name: 3,5-dihydroxy-4-sulfooxy-1-cyclohexanecarboxylic acid IUPAC Name: 3,5-dihydroxy-4-sulfooxycyclohexane-1-carboxylic acid Traditional Name: 3,5-dihydroxy-4-sulfoxy-cyclohexanecarboxylic acid Formula: C7H12O8S MolecularWeight: 256.23038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(C1O)OS(=O)(=O)O)O)C(=O)O

Isomeric SMILES

C1C(CC(C(C1O)OS(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C7H12O8S/c8-4-1-3(7(10)11)2-5(9)6(4)15-16(12,13)14/h3-6,8-9H,1-2H2,(H,10,11)(H,12,13,14)