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

Systemtic Name: sodium 1,4-bis(2-methylheptan-2-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(1,1-dimethylhexoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(2-methylheptan-2-yloxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2-methylheptan-2-yloxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-bis(1,1-dimethylhexoxy)-1,4-diketo-butane-2-sulfonate Formula: C20H37NaO7S MolecularWeight: 444.55835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.Na/c1-7-9-11-13-19(3,4)26-17(21)15-16(28(23,24)25)18(22)27-20(5,6)14-12-10-8-2;/h16H,7-15H2,1-6H3,(H,23,24,25);/q;+1/p-1