4-(2,2-dimethylpropoxy)-2-(2-iodanylphenyl)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-(2,2-dimethylpropoxy)-2-(2-iodanylphenyl)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-(2,2-dimethylpropoxy)-2-(2-iodophenyl)-4-oxo-3-sulfo-butanoate CAS Name: 4-(2,2-dimethylpropoxy)-2-(2-iodophenyl)-4-oxo-3-sulfobutanoate IUPAC Name: 4-(2,2-dimethylpropoxy)-2-(2-iodophenyl)-4-oxo-3-sulfobutanoate Traditional Name: 2-(2-iodophenyl)-4-keto-4-neopentyloxy-3-sulfo-butyrate Formula: C15H18IO7S- MolecularWeight: 469.26869

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C(C(C1=CC=CC=C1I)C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)C(C(C1=CC=CC=C1I)C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C15H19IO7S/c1-15(2,3)8-23-14(19)12(24(20,21)22)11(13(17)18)9-6-4-5-7-10(9)16/h4-7,11-12H,8H2,1-3H3,(H,17,18)(H,20,21,22)/p-1