4-(2-hydroxyethyloxy)-4-oxidanylidene-3-sulfo-butanoic acid hydrate

Systemtic Name: 4-(2-hydroxyethyloxy)-4-oxidanylidene-3-sulfo-butanoic acid hydrate Openeye Name: 4-(2-hydroxyethoxy)-4-oxo-3-sulfo-butanoic acid hydrate CAS Name: 4-(2-hydroxyethoxy)-4-oxo-3-sulfobutanoic acid hydrate IUPAC Name: 4-(2-hydroxyethoxy)-4-oxo-3-sulfobutanoic acid hydrate Traditional Name: 4-(2-hydroxyethoxy)-4-keto-3-sulfo-butyric acid hydrate Formula: C6H12O9S MolecularWeight: 260.21908

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Descriptors Computed from Structure

Canonical SMILES:

C(COC(=O)C(CC(=O)O)S(=O)(=O)O)O.O

Isomeric SMILES

C(COC(=O)C(CC(=O)O)S(=O)(=O)O)O.O

InChI

InChI=1S/C6H10O8S.H2O/c7-1-2-14-6(10)4(3-5(8)9)15(11,12)13;/h4,7H,1-3H2,(H,8,9)(H,11,12,13);1H2