4-(1-iodanyl-2,2,3-trimethyl-pentoxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-(1-iodanyl-2,2,3-trimethyl-pentoxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-(1-iodo-2,2,3-trimethyl-pentoxy)-4-oxo-3-sulfo-butanoate CAS Name: 4-(1-iodo-2,2,3-trimethylpentoxy)-4-oxo-3-sulfobutanoate IUPAC Name: 4-(1-iodo-2,2,3-trimethylpentoxy)-4-oxo-3-sulfobutanoate Traditional Name: 4-(1-iodo-2,2,3-trimethyl-pentoxy)-4-keto-3-sulfo-butyrate Formula: C12H20IO7S- MolecularWeight: 435.25247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21IO7S/c1-5-7(2)12(3,4)11(13)20-10(16)8(6-9(14)15)21(17,18)19/h7-8,11H,5-6H2,1-4H3,(H,14,15)(H,17,18,19)/p-1