disodium 4-(4-methylpentan-2-yloxy)-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-(4-methylpentan-2-yloxy)-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-(1,3-dimethylbutoxy)-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-(4-methylpentan-2-yloxy)-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-(4-methylpentan-2-yloxy)-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-(1,3-dimethylbutoxy)-4-keto-3-sulfonato-butyrate Formula: C10H16Na2O7S MolecularWeight: 326.27438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O7S.2Na/c1-6(2)4-7(3)17-10(13)8(5-9(11)12)18(14,15)16;;/h6-8H,4-5H2,1-3H3,(H,11,12)(H,14,15,16);;/q;2*+1/p-2