disodium 4-(6-methylheptoxy)-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-(6-methylheptoxy)-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-(6-methylheptoxy)-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-(6-methylheptoxy)-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-(6-methylheptoxy)-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-(6-methylheptoxy)-3-sulfonato-butyrate Formula: C12H20Na2O7S MolecularWeight: 354.32754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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