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

Systemtic Name: sodium 1,4-bis(2-ethylbutoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(2-ethylbutoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(2-ethylbutoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2-ethylbutoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-bis(2-ethylbutoxy)-1,4-diketo-butane-2-sulfonate Formula: C16H29NaO7S MolecularWeight: 388.45203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)CC(C(=O)OCC(CC)CC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC)COC(=O)CC(C(=O)OCC(CC)CC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H30O7S.Na/c1-5-12(6-2)10-22-15(17)9-14(24(19,20)21)16(18)23-11-13(7-3)8-4;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1