sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; methyl-oxidanidyl-oxidanylidene-phosphanium

Systemtic Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; methyl-oxidanidyl-oxidanylidene-phosphanium Openeye Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; methyl-oxido-oxo-phosphonium CAS Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; methyl-oxido-oxophosphonium IUPAC Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; methyl-oxido-oxophosphanium Traditional Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate; keto-methyl-oxido-phosphonium Formula: C21H40NaO9PS MolecularWeight: 522.565431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.CH3O2P.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;1-4(2)3;/h16-18H,5-15H2,1-4H3,(H,23,24,25);1H3;/q;;+1/p-1