disodium 2-dodecylbenzenesulfonate

Systemtic Name: disodium 2-dodecylbenzenesulfonate Openeye Name: disodium 2-dodecylbenzenesulfonate CAS Name: disodium 2-dodecylbenzenesulfonate IUPAC Name: disodium 2-dodecylbenzenesulfonate Traditional Name: disodium 2-laurylbesylate Formula: C36H58Na2O6S2 MolecularWeight: 696.95166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C18H30O3S.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);;/q;;2*+1/p-2