disodium 4-decoxy-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-decoxy-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-decoxy-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-decoxy-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-decoxy-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-decoxy-4-keto-2-sulfonato-butyrate Formula: C14H24Na2O7S MolecularWeight: 382.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26O7S.2Na/c1-2-3-4-5-6-7-8-9-10-21-13(15)11-12(14(16)17)22(18,19)20;;/h12H,2-11H2,1H3,(H,16,17)(H,18,19,20);;/q;2*+1/p-2