sodium 5-[[4-(2-ethylhexoxy)-4-oxidanylidene-butanoyl]oxymethyl]heptane-2-sulfonate

Systemtic Name: sodium 5-[[4-(2-ethylhexoxy)-4-oxidanylidene-butanoyl]oxymethyl]heptane-2-sulfonate Openeye Name: sodium 5-[[4-(2-ethylhexoxy)-4-oxo-butanoyl]oxymethyl]heptane-2-sulfonate CAS Name: sodium 5-[[4-(2-ethylhexoxy)-1,4-dioxobutoxy]methyl]-2-heptanesulfonate IUPAC Name: sodium 5-[[4-(2-ethylhexoxy)-4-oxobutanoyl]oxymethyl]heptane-2-sulfonate Traditional Name: sodium 5-[[4-(2-ethylhexoxy)-4-keto-butanoyl]oxymethyl]heptane-2-sulfonate Formula: C20H37NaO7S MolecularWeight: 444.55835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCC(C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCC(C)S(=O)(=O)[O-].[Na+]

InChI

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