sodium 5-ethyl-3-(2-ethylhexyl)-3-sulfooxycarbonyl-nonanoate

Systemtic Name: sodium 5-ethyl-3-(2-ethylhexyl)-3-sulfooxycarbonyl-nonanoate Openeye Name: sodium 5-ethyl-3-(2-ethylhexyl)-3-sulfooxycarbonyl-nonanoate CAS Name: sodium 5-ethyl-3-(2-ethylhexyl)-3-[oxo(sulfooxy)methyl]nonanoate IUPAC Name: sodium 5-ethyl-3-(2-ethylhexyl)-3-sulfooxycarbonylnonanoate Traditional Name: sodium 5-ethyl-3-(2-ethylhexyl)-3-sulfoxycarbonyl-pelargonate Formula: C20H37NaO7S MolecularWeight: 444.55835

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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.[Na+]

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)[O-])C(=O)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H38O7S.Na/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);/q;+1/p-1