4-oxidanylidene-4-(1-oxidanyloctoxy)-3-sulfo-butanoate

Systemtic Name: 4-oxidanylidene-4-(1-oxidanyloctoxy)-3-sulfo-butanoate Openeye Name: 4-(1-hydroxyoctoxy)-4-oxo-3-sulfo-butanoate CAS Name: 4-(1-hydroxyoctoxy)-4-oxo-3-sulfobutanoate IUPAC Name: 4-(1-hydroxyoctoxy)-4-oxo-3-sulfobutanoate Traditional Name: 4-(1-hydroxyoctoxy)-4-keto-3-sulfo-butyrate Formula: C12H21O8S- MolecularWeight: 325.35534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(O)OC(=O)C(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(O)OC(=O)C(CC(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H22O8S/c1-2-3-4-5-6-7-11(15)20-12(16)9(8-10(13)14)21(17,18)19/h9,11,15H,2-8H2,1H3,(H,13,14)(H,17,18,19)/p-1