4-decoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-decoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-decoxy-4-oxo-3-sulfo-butanoate CAS Name: 4-decoxy-4-oxo-3-sulfobutanoate IUPAC Name: 4-decoxy-4-oxo-3-sulfobutanoate Traditional Name: 4-decoxy-4-keto-3-sulfo-butyrate Formula: C14H25O7S- MolecularWeight: 337.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O

InChI

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