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

Systemtic Name: 2-[(3,3-dimethyl-2-oxidanyl-2-phenyl-indol-1-yl)methyl]-4-[2-(4-nitrophenyl)ethynyl]phenolate; tetrabutylazanium Openeye Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-indolin-1-yl)methyl]-4-[2-(4-nitrophenyl)ethynyl]phenolate; tetrabutylammonium CAS Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-1-indolyl)methyl]-4-[2-(4-nitrophenyl)ethynyl]phenolate; tetrabutylammonium IUPAC Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenylindol-1-yl)methyl]-4-[2-(4-nitrophenyl)ethynyl]phenolate; tetrabutylazanium Traditional Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-indolin-1-yl)methyl]-4-[2-(4-nitrophenyl)ethynyl]phenolate; tetrabutylammonium Formula: C47H61N3O4 MolecularWeight: 732.00494

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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)C#CC5=CC=C(C=C5)[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)C#CC5=CC=C(C=C5)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C31H26N2O4.C16H36N/c1-30(2)27-10-6-7-11-28(27)32(31(30,35)25-8-4-3-5-9-25)21-24-20-23(16-19-29(24)34)13-12-22-14-17-26(18-15-22)33(36)37;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-11,14-20,34-35H,21H2,1-2H3;5-16H2,1-4H3/q;+1/p-1