3-(4-DIMETHYLAMINO-2-HYDROXY-PHENYL)-5-(4-DIMETHYLIMMONIUM-2-HYDROXY-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE

CAS No.
93754-63-3
CCD No.
CCD00165932
Formula
C21 H20 N2 O5
MolWeight
380.398

Basic Information

Product Name: 3-(4-DIMETHYLAMINO-2-HYDROXY-PHENYL)-5-(4-DIMETHYLIMMONIUM-2-HYDROXY-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
CAS: 93754-63-3
English Synonyms: 3-(4-DIMETHYLAMINO-2-HYDROXY-PHENYL)-5-(4-DIMETHYLIMMONIUM-2-HYDROXY-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
MDL Number.: MFCD00799306
H bond acceptor: 7
H bond donor: 2
Smile: CN(C)c1ccc(c(c1)O)C2=C(/C(=C/3\C=CC(=[N+](C)C)C=C3O)/C(=O)C2=O)[O-]
InChi: InChI=1S/C21H20N2O5/c1-22(2)11-5-7-13(15(24)9-11)17-19(26)18(21(28)20(17)27)14-8-6-12(23(3)4)10-16(14)25/h5-10H,1-4H3,(H2,24,25,26,27,28)
InChiKey: InChIKey=IPDQJFZFBSEZFO-UHFFFAOYSA-N

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