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

Systemtic Name: sodium 1,4-bis(oxidanylidene)-1,4-di(pentan-2-yloxy)butane-2-sulfonate Openeye Name: sodium 1,4-bis(1-methylbutoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-dioxo-1,4-di(pentan-2-yloxy)-2-butanesulfonate IUPAC Name: sodium 1,4-dioxo-1,4-di(pentan-2-yloxy)butane-2-sulfonate Traditional Name: sodium 1,4-diketo-1,4-bis(1-methylbutoxy)butane-2-sulfonate Formula: C14H25NaO7S MolecularWeight: 360.39887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26O7S.Na/c1-5-7-10(3)20-13(15)9-12(22(17,18)19)14(16)21-11(4)8-6-2;/h10-12H,5-9H2,1-4H3,(H,17,18,19);/q;+1/p-1