4-decoxy-4-oxidanylidene-3-sulfooxy-butanoic acid

Systemtic Name: 4-decoxy-4-oxidanylidene-3-sulfooxy-butanoic acid Openeye Name: 4-decoxy-4-oxo-3-sulfooxy-butanoic acid CAS Name: 4-decoxy-4-oxo-3-sulfooxybutanoic acid IUPAC Name: 4-decoxy-4-oxo-3-sulfooxybutanoic acid Traditional Name: 4-decoxy-4-keto-3-sulfoxy-butyric acid Formula: C14H26O8S MolecularWeight: 354.41644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CC(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CC(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C14H26O8S/c1-2-3-4-5-6-7-8-9-10-21-14(17)12(11-13(15)16)22-23(18,19)20/h12H,2-11H2,1H3,(H,15,16)(H,18,19,20)