2-[(3,3-dimethyl-2-oxidanyl-2-phenyl-indol-1-yl)methyl]-4-[4-(4-nitrophenyl)phenyl]phenolate; tetrabutylazanium

Systemtic Name: 2-[(3,3-dimethyl-2-oxidanyl-2-phenyl-indol-1-yl)methyl]-4-[4-(4-nitrophenyl)phenyl]phenolate; tetrabutylazanium Openeye Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-indolin-1-yl)methyl]-4-[4-(4-nitrophenyl)phenyl]phenolate; tetrabutylammonium CAS Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-1-indolyl)methyl]-4-[4-(4-nitrophenyl)phenyl]phenolate; tetrabutylammonium IUPAC Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenylindol-1-yl)methyl]-4-[4-(4-nitrophenyl)phenyl]phenolate; tetrabutylazanium Traditional Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-indolin-1-yl)methyl]-4-[4-(4-nitrophenyl)phenyl]phenolate; tetrabutylammonium Formula: C51H65N3O4 MolecularWeight: 784.0795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC1(C2=CC=CC=C2N(C1(C3=CC=CC=C3)O)CC4=C(C=CC(=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)[N+](=O)[O-])[O-])C

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC1(C2=CC=CC=C2N(C1(C3=CC=CC=C3)O)CC4=C(C=CC(=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C35H30N2O4.C16H36N/c1-34(2)31-10-6-7-11-32(31)36(35(34,39)29-8-4-3-5-9-29)23-28-22-27(18-21-33(28)38)26-14-12-24(13-15-26)25-16-19-30(20-17-25)37(40)41;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-22,38-39H,23H2,1-2H3;5-16H2,1-4H3/q;+1/p-1