disodium 4-ethyl-2-(2-ethylhexyl)-2-(2-oxidanylidene-2-sulfonatooxy-ethyl)octanoate

Systemtic Name: disodium 4-ethyl-2-(2-ethylhexyl)-2-(2-oxidanylidene-2-sulfonatooxy-ethyl)octanoate Openeye Name: disodium 4-ethyl-2-(2-ethylhexyl)-2-(2-oxo-2-sulfonatooxy-ethyl)octanoate CAS Name: disodium 4-ethyl-2-(2-ethylhexyl)-2-(2-oxo-2-sulfonatooxyethyl)octanoate IUPAC Name: disodium 4-ethyl-2-(2-ethylhexyl)-2-(2-oxo-2-sulfonatooxyethyl)octanoate Traditional Name: disodium 4-ethyl-2-(2-ethylhexyl)-2-(2-keto-2-sulfato-ethyl)caprylate Formula: C20H36Na2O7S MolecularWeight: 466.54018

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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-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.2Na/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);;/q;2*+1/p-2