disodium 4-(2-ethylhexoxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: disodium 4-(2-ethylhexoxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: disodium 4-(2-ethylhexoxy)-4-oxo-3-sulfo-butanoate CAS Name: disodium 4-(2-ethylhexoxy)-4-oxo-3-sulfobutanoate IUPAC Name: disodium 4-(2-ethylhexoxy)-4-oxo-3-sulfobutanoate Traditional Name: disodium 4-(2-ethylhexoxy)-4-keto-3-sulfo-butyrate Formula: C12H21Na2O7S+ MolecularWeight: 355.33548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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