4-ethyl-2-(2-ethylhexyl)-2-(2-oxidanylidene-2-sulfooxy-ethyl)octanoic acid

Systemtic Name: 4-ethyl-2-(2-ethylhexyl)-2-(2-oxidanylidene-2-sulfooxy-ethyl)octanoic acid Openeye Name: 4-ethyl-2-(2-ethylhexyl)-2-(2-oxo-2-sulfooxy-ethyl)octanoic acid CAS Name: 4-ethyl-2-(2-ethylhexyl)-2-(2-oxo-2-sulfooxyethyl)octanoic acid IUPAC Name: 4-ethyl-2-(2-ethylhexyl)-2-(2-oxo-2-sulfooxyethyl)octanoic acid Traditional Name: 4-ethyl-2-(2-ethylhexyl)-2-(2-keto-2-sulfoxy-ethyl)caprylic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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