4-octan-3-yloxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-octan-3-yloxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-(1-ethylhexoxy)-4-oxo-3-sulfo-butanoate CAS Name: 4-octan-3-yloxy-4-oxo-3-sulfobutanoate IUPAC Name: 4-octan-3-yloxy-4-oxo-3-sulfobutanoate Traditional Name: 4-(1-ethylhexoxy)-4-keto-3-sulfo-butyrate Formula: C12H21O7S- MolecularWeight: 309.35594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S/c1-3-5-6-7-9(4-2)19-12(15)10(8-11(13)14)20(16,17)18/h9-10H,3-8H2,1-2H3,(H,13,14)(H,16,17,18)/p-1