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

Systemtic Name: sodium 1,4-bis(2-methylpropoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-diisobutoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(2-methylpropoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diisobutoxy-1,4-diketo-butane-2-sulfonate Formula: C12H21NaO7S MolecularWeight: 332.34571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1/p-1