C.I. Pigment Red 173

Molecular Formula: C₈₄H₉₀AlCl₃N₆O₉

InChI: InChI=1/3C28H30N2O3.Al.3ClH/c3*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;;;;/h3*9-18H,5-8H2,1-4H3;;3*1H/q;;;+3;;;/p-3/f3C28H30N2O3.Al.3Cl/h;;;;3*1h/q;;;m;3*-1

InChIKey: InChIKey=YEGHTXIEAUDTPC-FALDGLSLCW
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)[O-].CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)[O-].CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)[O-].[Al+3].[Cl-].[Cl-].[Cl-]

Names:
    aluminum(+3) cation; 2-(3-diethylamino-6-diethylazaniumylidene-xanthen-9-yl)benzoate; trichloride
    C.I. Pigment Red 173
    EINECS 235-439-9
    Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride, aluminum salt
    12227-77-9
    9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride , aluminium salt

Registries:
    PubChem CID 11979402
    PubChem ID 207162