5-ethyl-3-(2-ethylhexyl)-3-sulfooxycarbonyl-nonanoic acid

Systemtic Name: 5-ethyl-3-(2-ethylhexyl)-3-sulfooxycarbonyl-nonanoic acid Openeye Name: 5-ethyl-3-(2-ethylhexyl)-3-sulfooxycarbonyl-nonanoic acid CAS Name: 5-ethyl-3-(2-ethylhexyl)-3-[oxo(sulfooxy)methyl]nonanoic acid IUPAC Name: 5-ethyl-3-(2-ethylhexyl)-3-sulfooxycarbonylnonanoic acid Traditional Name: 5-ethyl-3-(2-ethylhexyl)-3-sulfoxycarbonyl-pelargonic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)O)C(=O)OS(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)O)C(=O)OS(=O)(=O)O

InChI

InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)13-20(15-18(21)22,19(23)27-28(24,25)26)14-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3,(H,21,22)(H,24,25,26)