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tetramethylrhodamine ethyl ester(1+)

PropertiesImage
MNX_IDMNXM161516 Image of MNXM161516
referencechebi:78721
formulaC26H27N2O3
global charge1
mol weight415.513
InChIKeyPQMJQYONVLIFOV-UHFFFAOYSA-N
InChIInChI=1S/C26H27N2O3/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25/h7-16H,6H2,1-5H3/q+1
SMILESCCOC(=O)C1=C(C2=C3C=CC(=[N+](C)C)C=C3OC3=C2C=CC(N(C)C)=C3)C=CC=C1
MNX internals
InChI (mnx)InChI=1/C26H27N2O3/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25/h7-16H,6H2,1-5H3/q+1 Image of MNXM161516
SMILES (mnx)[CH3:1][CH2:6][O:30][C:26]([C:20]1=[CH:10][CH:8]=[CH:7][CH:9]=[C:19]1[C:25]1=[C:22]2[CH:14]=[CH:12][C:18]([N:28]([CH3:4])[CH3:5])=[CH:16][C:24]2=[O+:31][C:23]2=[C:21]1[CH:13]=[CH:11][C:17]([N:27]([CH3:2])[CH3:3])=[CH:15]2)=[O:29]
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:78721
chebi:78721
PQMJQYONVLIFOV-UHFFFAOYSA-N
tetramethylrhodamine ethyl ester(1+)
6-(dimethylamino)-9-[2-(ethoxycarbonyl)phenyl]-N,N-dimethyl-3H-xanthen-3-iminium
TMRE