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methyl green(2+)

PropertiesImage
MNX_IDMNXM157897 Image of MNXM157897
referencechebi:87650
formulaC26H33N3
global charge2
mol weight387.571
InChIKeyCKTYULMXIIQZGG-UHFFFAOYSA-N
InChIInChI=1S/C26H33N3/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7/h8-19H,1-7H3/q+2
SMILESCN(C)C1=CC=C(C(C2=CC=C([N+](C)(C)C)C=C2)=C2C=CC(=[N+](C)C)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C26H33N3/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7/h8-19H,1-7H3/q+2 Image of MNXM157897
SMILES (mnx)[CH3:1][N+:27]([CH3:2])=[C:23]1[CH:14]=[CH:8][C:20](=[C:26]([C:21]2=[CH:11][CH:17]=[C:24]([N:28]([CH3:3])[CH3:4])[CH:16]=[CH:10]2)[C:22]2=[CH:13][CH:19]=[C:25]([N+:29]([CH3:5])([CH3:6])[CH3:7])[CH:18]=[CH:12]2)[CH:9]=[CH:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87650
chebi:87650
CKTYULMXIIQZGG-UHFFFAOYSA-N
methyl green(2+)
(4-{[4-(dimethylamino)phenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium
methyl green cation