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

Systemtic Name: sodium 1-(2-butylhexoxy)-4-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1-(2-butylhexoxy)-4-(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1-(2-butylhexoxy)-4-(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1-(2-butylhexoxy)-4-(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1-(2-butylhexoxy)-4-(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate Formula: C22H41NaO7S MolecularWeight: 472.61151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.Na/c1-5-9-12-18(8-4)16-28-21(23)15-20(30(25,26)27)22(24)29-17-19(13-10-6-2)14-11-7-3;/h18-20H,5-17H2,1-4H3,(H,25,26,27);/q;+1/p-1