4-hexoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-hexoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-hexoxy-4-oxo-3-sulfo-butanoate CAS Name: 4-hexoxy-4-oxo-3-sulfobutanoate IUPAC Name: 4-hexoxy-4-oxo-3-sulfobutanoate Traditional Name: 4-hexoxy-4-keto-3-sulfo-butyrate Formula: C10H17O7S- MolecularWeight: 281.30278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O7S/c1-2-3-4-5-6-17-10(13)8(7-9(11)12)18(14,15)16/h8H,2-7H2,1H3,(H,11,12)(H,14,15,16)/p-1