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

Systemtic Name: 2-[(3,3-dimethyl-2-oxidanyl-2-phenyl-indol-1-yl)methyl]-4-(4-nitrophenyl)phenolate; tetrabutylazanium Openeye Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-indolin-1-yl)methyl]-4-(4-nitrophenyl)phenolate; tetrabutylammonium CAS Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-1-indolyl)methyl]-4-(4-nitrophenyl)phenolate; tetrabutylammonium IUPAC Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenylindol-1-yl)methyl]-4-(4-nitrophenyl)phenolate; tetrabutylazanium Traditional Name: 2-[(2-hydroxy-3,3-dimethyl-2-phenyl-indolin-1-yl)methyl]-4-(4-nitrophenyl)phenolate; tetrabutylammonium Formula: C45H61N3O4 MolecularWeight: 707.98354

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

InChI

InChI=1S/C29H26N2O4.C16H36N/c1-28(2)25-10-6-7-11-26(25)30(29(28,33)23-8-4-3-5-9-23)19-22-18-21(14-17-27(22)32)20-12-15-24(16-13-20)31(34)35;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-18,32-33H,19H2,1-2H3;5-16H2,1-4H3/q;+1/p-1