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

Systemtic Name: sodium 4-cyclohexyloxy-1,4-bis(oxidanylidene)-1-propan-2-yloxy-butane-2-sulfonate Openeye Name: sodium 4-(cyclohexoxy)-1-isopropoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-cyclohexyloxy-1,4-dioxo-1-propan-2-yloxy-2-butanesulfonate IUPAC Name: sodium 4-cyclohexyloxy-1,4-dioxo-1-propan-2-yloxybutane-2-sulfonate Traditional Name: sodium 4-(cyclohexoxy)-1-isopropoxy-1,4-diketo-butane-2-sulfonate Formula: C13H21NaO7S MolecularWeight: 344.35641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC(=O)OC1CCCCC1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)OC(=O)C(CC(=O)OC1CCCCC1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H22O7S.Na/c1-9(2)19-13(15)11(21(16,17)18)8-12(14)20-10-6-4-3-5-7-10;/h9-11H,3-8H2,1-2H3,(H,16,17,18);/q;+1/p-1