FOOD BLUE NO 1 ALUMINUM LAKE

CAS No.
CCD No.
CCD00092909
Formula
3 C37 H34 N2 O9 S3 . 2 Al
MolWeight
2294.6

Basic Information

Product Name: FOOD BLUE NO 1 ALUMINUM LAKE
English Synonyms: PIGMENT BLUE 78 ; FOOD BLUE NO 1 ALUMINUM LAKE ; CI FOOD BLUE 2:1
MDL Number.: MFCD00198070
H bond acceptor: 11
H bond donor: 0
Smile: CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-].[Al+3].[Al+3]
InChi: InChI=1S/3C37H36N2O9S3.2Al/c3*1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h3*5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;;;2*+3/p-6
InChiKey: InChIKey=KQVJZDZLEDQCSD-UHFFFAOYSA-H

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