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C.I. Acid Green 50

PropertiesImage
MNX_IDMNXM119973 Image of MNXM119973
referencehmdb:HMDB0033390
formulaC27H26N2O7S2
global charge0
mol weight554.646
InChIKeyQEFJYMFUMVHTBR-UHFFFAOYSA-N
InChIInChI=1S/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)
SMILESCN(C)C1=CC=C(C(=C2C=CC(=[N+](C)C)C=C2)C2=C(O)C(S(=O)(=O)[O-])=CC3=C2C=CC(S(=O)(=O)O)=C3)C=C1
MNX internals
InChI (mnx)InChI=1/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36) Image of MNXM119973
SMILES (mnx)[CH3:1][N+:28]([CH3:2])=[C:20]1[CH:9]=[CH:5][C:17](=[C:25]([C:18]2=[CH:8][CH:12]=[C:21]([N:29]([CH3:3])[CH3:4])[CH:11]=[CH:7]2)[C:26]2=[C:23]3[CH:14]=[CH:13][C:22](=[S:37]([O-:31])([OH:32])=[O:33])[CH:15]=[C:19]3[CH:16]=[C:24]([S:38]([OH:34])(=[O:35])=[O:36])[C:27]2=[O:30])[CH:6]=[CH:10]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
hmdb:HMDB0033390
QEFJYMFUMVHTBR-UHFFFAOYSA-N 		C.I. Acid Green 50
(5-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-6-oxo-7-sulfO-2,6-dihydronaphthalen-2-ylidene)(hydroxy)-lambda⁶-sulfanoylolic acid
(5-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-6-oxo-7-sulphO-2,6-dihydronaphthalen-2-ylidene)(hydroxy)-lambda⁶-sulphanoylolate
(5-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-6-oxo-7-sulphO-2,6-dihydronaphthalen-2-ylidene)(hydroxy)-lambda⁶-sulphanoylolic acid
4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxy-7-sulfonaphthalene-2-sulfonate
4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxy-7-sulfonaphthalene-2-sulfonate
Acid brilliant green
C.I. 44090
C.I. FOOD green 4
FOOD Green S
Green S
Lissamine green b
N-[4-[[4-(dimethylamino)Phenyl](2-hydroxy-3,6-disulfO-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-1-methylmethanaminium hydroxide inner salt
e142

hmdb:HMDB33390 		secondary/obsolete/fantasy identifier