[(E)-[1-(4-dodecoxyphenyl)-2,2,2-tris(fluoranyl)ethylidene]amino] propane-1-sulfonate

Systemtic Name: [(E)-[1-(4-dodecoxyphenyl)-2,2,2-tris(fluoranyl)ethylidene]amino] propane-1-sulfonate Openeye Name: [(E)-[1-(4-dodecoxyphenyl)-2,2,2-trifluoro-ethylidene]amino] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [(E)-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]amino] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [(E)-[2,2,2-trifluoro-1-(4-lauryloxyphenyl)ethylidene]amino] ester Formula: C23H36F3NO4S MolecularWeight: 479.59645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=NOS(=O)(=O)CCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C(=N\OS(=O)(=O)CCC)/C(F)(F)F

InChI

InChI=1S/C23H36F3NO4S/c1-3-5-6-7-8-9-10-11-12-13-18-30-21-16-14-20(15-17-21)22(23(24,25)26)27-31-32(28,29)19-4-2/h14-17H,3-13,18-19H2,1-2H3/b27-22+