4-ethyl-3-iodanyloxycarbonyl-3-sulfo-nonanoic acid

Systemtic Name: 4-ethyl-3-iodanyloxycarbonyl-3-sulfo-nonanoic acid Openeye Name: 4-ethyl-3-iodooxycarbonyl-3-sulfo-nonanoic acid CAS Name: 4-ethyl-3-[iodooxy(oxo)methyl]-3-sulfononanoic acid IUPAC Name: 4-ethyl-3-iodooxycarbonyl-3-sulfononanoic acid Traditional Name: 4-ethyl-3-iodooxycarbonyl-3-sulfo-pelargonic acid Formula: C12H21IO7S MolecularWeight: 436.26041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(CC(=O)O)(C(=O)OI)S(=O)(=O)O

Isomeric SMILES

CCCCCC(CC)C(CC(=O)O)(C(=O)OI)S(=O)(=O)O

InChI

InChI=1S/C12H21IO7S/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)