2-[3-(2-methyl-2-phenyl-undecan-3-yl)phenyl]-2-oxidanyl-5-(trifluoromethyl)benzotriazol-2-ium

Systemtic Name: 2-[3-(2-methyl-2-phenyl-undecan-3-yl)phenyl]-2-oxidanyl-5-(trifluoromethyl)benzotriazol-2-ium Openeye Name: 2-hydroxy-2-[3-[1-(1-methyl-1-phenyl-ethyl)nonyl]phenyl]-5-(trifluoromethyl)benzotriazol-2-ium CAS Name: 2-hydroxy-2-[3-(2-methyl-2-phenylundecan-3-yl)phenyl]-5-(trifluoromethyl)benzotriazol-2-ium IUPAC Name: 2-hydroxy-2-[3-(2-methyl-2-phenylundecan-3-yl)phenyl]-5-(trifluoromethyl)benzotriazol-2-ium Traditional Name: 2-[3-(1-cumylnonyl)phenyl]-2-hydroxy-5-(trifluoromethyl)benzotriazol-2-ium Formula: C31H37F3N3O+ MolecularWeight: 524.64019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=CC(=CC=C1)[N+]2(N=C3C=CC(=CC3=N2)C(F)(F)F)O)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCC(C1=CC(=CC=C1)[N+]2(N=C3C=CC(=CC3=N2)C(F)(F)F)O)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C31H37F3N3O/c1-4-5-6-7-8-12-18-27(30(2,3)24-15-10-9-11-16-24)23-14-13-17-26(21-23)37(38)35-28-20-19-25(31(32,33)34)22-29(28)36-37/h9-11,13-17,19-22,27,38H,4-8,12,18H2,1-3H3/q+1