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

Systemtic Name: sodium 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate phosphate Openeye Name: sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate phosphate CAS Name: sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate phosphate IUPAC Name: sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate phosphate Traditional Name: sodium 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate phosphate Formula: C20H37NaO11PS-3 MolecularWeight: 539.529711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.Na.H3O4P/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;;1-5(2,3)4/h16-18H,5-15H2,1-4H3,(H,23,24,25);;(H3,1,2,3,4)/q;+1;/p-4