sodium 1,4-bis(2,6-dimethylheptan-4-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-bis(2,6-dimethylheptan-4-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(1-isobutyl-3-methyl-butoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(2,6-dimethylheptan-4-yloxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2,6-dimethylheptan-4-yloxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-bis(1-isobutyl-3-methyl-butoxy)-1,4-diketo-butane-2-sulfonate Formula: C22H41NaO7S MolecularWeight: 472.61151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.Na/c1-14(2)9-18(10-15(3)4)28-21(23)13-20(30(25,26)27)22(24)29-19(11-16(5)6)12-17(7)8;/h14-20H,9-13H2,1-8H3,(H,25,26,27);/q;+1/p-1