2-(iodanylmethyl)-4-(4-methylhexoxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 2-(iodanylmethyl)-4-(4-methylhexoxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 2-(iodomethyl)-4-(4-methylhexoxy)-4-oxo-3-sulfo-butanoate CAS Name: 2-(iodomethyl)-4-(4-methylhexoxy)-4-oxo-3-sulfobutanoate IUPAC Name: 2-(iodomethyl)-4-(4-methylhexoxy)-4-oxo-3-sulfobutanoate Traditional Name: 2-(iodomethyl)-4-keto-4-(4-methylhexoxy)-3-sulfo-butyrate Formula: C12H20IO7S- MolecularWeight: 435.25247

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCOC(=O)C(C(CI)C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCC(C)CCCOC(=O)C(C(CI)C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H21IO7S/c1-3-8(2)5-4-6-20-12(16)10(21(17,18)19)9(7-13)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)(H,17,18,19)/p-1