2-dodecylbenzenesulfonate; titanium(3+)

Systemtic Name: 2-dodecylbenzenesulfonate; titanium(3+) Openeye Name: 2-dodecylbenzenesulfonate; titanium(3+) CAS Name: 2-dodecylbenzenesulfonate; titanium(3+) IUPAC Name: 2-dodecylbenzenesulfonate; titanium(3+) Traditional Name: 2-laurylbesylate; titanium(3+) Formula: C54H87O9S3Ti MolecularWeight: 1024.32518

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-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ti+3]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ti+3]

InChI

InChI=1S/3C18H30O3S.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;;+3/p-3