2-(2-dodecoxyphenyl)-4-(2-fluoranyldodecoxy)benzenecarbothioic S-acid

Systemtic Name: 2-(2-dodecoxyphenyl)-4-(2-fluoranyldodecoxy)benzenecarbothioic S-acid Openeye Name: 2-(2-dodecoxyphenyl)-4-(2-fluorododecoxy)benzenecarbothioic S-acid CAS Name: 2-(2-dodecoxyphenyl)-4-(2-fluorododecoxy)benzenecarbothioic S-acid IUPAC Name: 2-(2-dodecoxyphenyl)-4-(2-fluorododecoxy)benzenecarbothioic S-acid Traditional Name: 4-(2-fluorododecoxy)-2-(2-lauryloxyphenyl)thiobenzoic acid Formula: C37H57FO3S MolecularWeight: 600.910083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC=C1C2=C(C=CC(=C2)OCC(CCCCCCCCCC)F)C(=O)S

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC=C1C2=C(C=CC(=C2)OCC(CCCCCCCCCC)F)C(=O)S

InChI

InChI=1S/C37H57FO3S/c1-3-5-7-9-11-13-14-16-18-22-28-40-36-25-21-20-24-33(36)35-29-32(26-27-34(35)37(39)42)41-30-31(38)23-19-17-15-12-10-8-6-4-2/h20-21,24-27,29,31H,3-19,22-23,28,30H2,1-2H3,(H,39,42)