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

Systemtic Name: 3-iodanyl-4-octan-3-yloxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-(1-ethylhexoxy)-3-iodo-4-oxo-3-sulfo-butanoate CAS Name: 3-iodo-4-octan-3-yloxy-4-oxo-3-sulfobutanoate IUPAC Name: 3-iodo-4-octan-3-yloxy-4-oxo-3-sulfobutanoate Traditional Name: 4-(1-ethylhexoxy)-3-iodo-4-keto-3-sulfo-butyrate Formula: C12H20IO7S- MolecularWeight: 435.25247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21IO7S/c1-3-5-6-7-9(4-2)20-11(16)12(13,8-10(14)15)21(17,18)19/h9H,3-8H2,1-2H3,(H,14,15)(H,17,18,19)/p-1