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

Systemtic Name: sodium 1-(2-ethylhexoxy)-4-methoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1-(2-ethylhexoxy)-4-methoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1-(2-ethylhexoxy)-4-methoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1-(2-ethylhexoxy)-4-methoxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1-(2-ethylhexoxy)-1,4-diketo-4-methoxy-butane-2-sulfonate Formula: C13H23NaO7S MolecularWeight: 346.37229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24O7S.Na/c1-4-6-7-10(5-2)9-20-13(15)11(21(16,17)18)8-12(14)19-3;/h10-11H,4-9H2,1-3H3,(H,16,17,18);/q;+1/p-1