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sodium 4-ethyl-3-iodanyloxycarbonyl-3-sulfo-nonanoate

sodium 4-ethyl-3-iodanyloxycarbonyl-3-sulfo-nonanoate

Systemtic Name:sodium 4-ethyl-3-iodanyloxycarbonyl-3-sulfo-nonanoate
Openeye Name:sodium 4-ethyl-3-iodooxycarbonyl-3-sulfo-nonanoate
CAS Name:sodium 4-ethyl-3-[iodooxy(oxo)methyl]-3-sulfononanoate
IUPAC Name:sodium 4-ethyl-3-iodooxycarbonyl-3-sulfononanoate
Traditional Name:sodium 4-ethyl-3-iodooxycarbonyl-3-sulfo-pelargonate
Formula: C12H20INaO7S
MolecularWeight: 458.24224
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(CC(=O)[O-])(C(=O)OI)S(=O)(=O)O.[Na+]


Isomeric SMILES

CCCCCC(CC)C(CC(=O)[O-])(C(=O)OI)S(=O)(=O)O.[Na+]


InChI

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


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