sodium 4-dodecan-3-ylbenzenesulfonate

Systemtic Name: sodium 4-dodecan-3-ylbenzenesulfonate Openeye Name: sodium 4-(1-ethyldecyl)benzenesulfonate CAS Name: sodium 4-dodecan-3-ylbenzenesulfonate IUPAC Name: sodium 4-dodecan-3-ylbenzenesulfonate Traditional Name: sodium 4-(1-ethyldecyl)besylate Formula: C18H29NaO3S MolecularWeight: 348.47583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O3S.Na/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1