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

Systemtic Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; oxidanidyl-oxidanylidene-phenoxy-phosphanium Openeye Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; oxido-oxo-phenoxy-phosphonium CAS Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; oxido-oxo-phenoxyphosphonium IUPAC Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; oxido-oxo-phenoxyphosphanium Traditional Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate; keto-oxido-phenoxy-phosphonium Formula: C26H42NaO10PS MolecularWeight: 600.634211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C1=CC=C(C=C1)O[P+](=O)[O-].[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C1=CC=C(C=C1)O[P+](=O)[O-].[Na+]

InChI

InChI=1S/C20H38O7S.C6H5O3P.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;7-10(8)9-6-4-2-1-3-5-6;/h16-18H,5-15H2,1-4H3,(H,23,24,25);1-5H;/q;;+1/p-1