2-[2,7-bis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate; tetrabutylazanium

Systemtic Name: 2-[2,7-bis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate; tetrabutylazanium Openeye Name: 2-(2,7-dibromo-3-oxido-6-oxo-xanthen-9-yl)benzoate; tetrabutylammonium CAS Name: 2-(2,7-dibromo-3-oxido-6-oxo-9-xanthenyl)benzoate; tetrabutylammonium IUPAC Name: 2-(2,7-dibromo-3-oxido-6-oxoxanthen-9-yl)benzoate; tetrabutylazanium Traditional Name: 2-(2,7-dibromo-3-keto-6-oxido-xanthen-9-yl)benzoate; tetrabutylammonium Formula: C52H80Br2N2O5 MolecularWeight: 973.01

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)Br)[O-])Br)C(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)Br)[O-])Br)C(=O)[O-]

InChI

InChI=1S/C20H10Br2O5.2C16H36N/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-8,23H,(H,25,26);2*5-16H2,1-4H3/q;2*+1/p-2