sodium 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-(2-ethylheptoxy)-1-(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate Formula: C21H39NaO7S MolecularWeight: 458.58493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H40O7S.Na/c1-5-9-11-13-18(8-4)15-27-20(22)14-19(29(24,25)26)21(23)28-16-17(7-3)12-10-6-2;/h17-19H,5-16H2,1-4H3,(H,24,25,26);/q;+1/p-1