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

Systemtic Name: sodium 1,4-bis(2,6-dimethylheptoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(2,6-dimethylheptoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(2,6-dimethylheptoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2,6-dimethylheptoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-bis(2,6-dimethylheptoxy)-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)CCCC(C)COC(=O)CC(C(=O)OCC(C)CCCC(C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

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