4-(2-ethylhexoxy)-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-(2-ethylhexoxy)-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(2-ethylhexoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-(2-ethylhexoxy)-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-(2-ethylhexoxy)-4-oxo-3-sulfobutanoic acid Traditional Name: 4-(2-ethylhexoxy)-4-keto-3-sulfo-butyric acid Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S/c1-3-5-6-9(4-2)8-19-12(15)10(7-11(13)14)20(16,17)18/h9-10H,3-8H2,1-2H3,(H,13,14)(H,16,17,18)