sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; sulfo cyanate

Systemtic Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; sulfo cyanate Openeye Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; sulfo cyanate CAS Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; cyanic acid sulfo ester IUPAC Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; sulfo cyanate Traditional Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate; cyanic acid sulfo ester Formula: C21H38NNaO11S2 MolecularWeight: 567.64629

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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(#N)OS(=O)(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.CHNO4S.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;2-1-6-7(3,4)5;/h16-18H,5-15H2,1-4H3,(H,23,24,25);(H,3,4,5);/q;;+1/p-1