4-octoxy-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-octoxy-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-octoxy-4-oxo-2-sulfo-butanoic acid CAS Name: 4-octoxy-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-octoxy-4-oxo-2-sulfobutanoic acid Traditional Name: 4-keto-4-octoxy-2-sulfo-butyric acid Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-2-3-4-5-6-7-8-19-11(13)9-10(12(14)15)20(16,17)18/h10H,2-9H2,1H3,(H,14,15)(H,16,17,18)