4-(3-iodanyl-2-methyl-octan-2-yl)oxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-(3-iodanyl-2-methyl-octan-2-yl)oxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-(2-iodo-1,1-dimethyl-heptoxy)-4-oxo-3-sulfo-butanoate CAS Name: 4-(3-iodo-2-methyloctan-2-yl)oxy-4-oxo-3-sulfobutanoate IUPAC Name: 4-(3-iodo-2-methyloctan-2-yl)oxy-4-oxo-3-sulfobutanoate Traditional Name: 4-(2-iodo-1,1-dimethyl-heptoxy)-4-keto-3-sulfo-butyrate Formula: C13H22IO7S- MolecularWeight: 449.27905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23IO7S/c1-4-5-6-7-10(14)13(2,3)21-12(17)9(8-11(15)16)22(18,19)20/h9-10H,4-8H2,1-3H3,(H,15,16)(H,18,19,20)/p-1