3-oxidanyl-4-sulfooxy-cyclohexane-1-carboxylic acid

Systemtic Name: 3-oxidanyl-4-sulfooxy-cyclohexane-1-carboxylic acid Openeye Name: 3-hydroxy-4-sulfooxy-cyclohexanecarboxylic acid CAS Name: 3-hydroxy-4-sulfooxy-1-cyclohexanecarboxylic acid IUPAC Name: 3-hydroxy-4-sulfooxycyclohexane-1-carboxylic acid Traditional Name: 3-hydroxy-4-sulfoxy-cyclohexanecarboxylic acid Formula: C7H12O7S MolecularWeight: 240.23098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

C1CC(C(CC1C(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C7H12O7S/c8-5-3-4(7(9)10)1-2-6(5)14-15(11,12)13/h4-6,8H,1-3H2,(H,9,10)(H,11,12,13)