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

Systemtic Name: sodium 1,4-bis(2-ethyldodecoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(2-ethyldodecoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(2-ethyldodecoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2-ethyldodecoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-bis(2-ethyldodecoxy)-1,4-diketo-butane-2-sulfonate Formula: C32H61NaO7S MolecularWeight: 612.87731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62O7S.Na/c1-5-9-11-13-15-17-19-21-23-28(7-3)26-38-31(33)25-30(40(35,36)37)32(34)39-27-29(8-4)24-22-20-18-16-14-12-10-6-2;/h28-30H,5-27H2,1-4H3,(H,35,36,37);/q;+1/p-1