[6-(diethylamino)-9-(4-nitrophenyl)xanthen-3-ylidene]-diethyl-azanium ethanoate

Systemtic Name: [6-(diethylamino)-9-(4-nitrophenyl)xanthen-3-ylidene]-diethyl-azanium ethanoate Openeye Name: [6-(diethylamino)-9-(4-nitrophenyl)xanthen-3-ylidene]-diethyl-ammonium acetate CAS Name: [6-(diethylamino)-9-(4-nitrophenyl)-3-xanthenylidene]-diethylammonium acetate IUPAC Name: [6-(diethylamino)-9-(4-nitrophenyl)xanthen-3-ylidene]-diethylazanium acetate Traditional Name: [6-(diethylamino)-9-(4-nitrophenyl)xanthen-3-ylidene]-diethyl-ammonium acetate Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=C(C=C4)[N+](=O)[O-].CC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=C(C=C4)[N+](=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C27H30N3O3.C2H4O2/c1-5-28(6-2)21-13-15-23-25(17-21)33-26-18-22(29(7-3)8-4)14-16-24(26)27(23)19-9-11-20(12-10-19)30(31)32;1-2(3)4/h9-18H,5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1