sodium 4-(2-ethylhexoxy)-1-octan-3-yloxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-(2-ethylhexoxy)-1-octan-3-yloxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1-(1-ethylhexoxy)-4-(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-(2-ethylhexoxy)-1-octan-3-yloxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-(2-ethylhexoxy)-1-octan-3-yloxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1-(1-ethylhexoxy)-4-(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate Formula: C20H37NaO7S MolecularWeight: 444.55835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.Na/c1-5-9-11-13-17(8-4)27-20(22)18(28(23,24)25)14-19(21)26-15-16(7-3)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1