disodium 4-octoxy-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-octoxy-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-octoxy-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-octoxy-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-octoxy-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-keto-4-octoxy-2-sulfonato-butyrate Formula: C12H20Na2O7S MolecularWeight: 354.32754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H22O7S.2Na/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);;/q;2*+1/p-2