sodium 1,4-didodecoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: sodium 1,4-didodecoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: sodium 1,4-didodecoxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: sodium 1,4-didodecoxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: sodium 1,4-didodecoxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: sodium 1,4-diketo-1,4-dilauryloxy-butane-2-sulfonic acid Formula: C28H54NaO7S+ MolecularWeight: 557.77893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C28H54O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-34-27(29)25-26(36(31,32)33)28(30)35-24-22-20-18-16-14-12-10-8-6-4-2;/h26H,3-25H2,1-2H3,(H,31,32,33);/q;+1