sodium 1,4-bis(2,3-dimethylheptan-2-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-bis(2,3-dimethylheptan-2-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-dioxo-1,4-bis(1,1,2-trimethylhexoxy)butane-2-sulfonate CAS Name: sodium 1,4-bis(2,3-dimethylheptan-2-yloxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2,3-dimethylheptan-2-yloxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diketo-1,4-bis(1,1,2-trimethylhexoxy)butane-2-sulfonate Formula: C22H41NaO7S MolecularWeight: 472.61151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.Na/c1-9-11-13-16(3)21(5,6)28-19(23)15-18(30(25,26)27)20(24)29-22(7,8)17(4)14-12-10-2;/h16-18H,9-15H2,1-8H3,(H,25,26,27);/q;+1/p-1