4-oxidanylidene-4-propoxy-3-sulfo-butanoic acid

Systemtic Name: 4-oxidanylidene-4-propoxy-3-sulfo-butanoic acid Openeye Name: 4-oxo-4-propoxy-3-sulfo-butanoic acid CAS Name: 4-oxo-4-propoxy-3-sulfobutanoic acid IUPAC Name: 4-oxo-4-propoxy-3-sulfobutanoic acid Traditional Name: 4-keto-4-propoxy-3-sulfo-butyric acid Formula: C7H12O7S MolecularWeight: 240.23098

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCOC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C7H12O7S/c1-2-3-14-7(10)5(4-6(8)9)15(11,12)13/h5H,2-4H2,1H3,(H,8,9)(H,11,12,13)