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CHEBI:52312 - rhodamine 700

ChEBI IDCHEBI:52312
ChEBI Namerhodamine 700
Stars
Last Modified17 April 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC26H26F3N2O
Net Charge+1
Average Mass439.501
Monoisotopic Mass439.19917
SMILESFC(F)(F)C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3
InChIInChI=1S/C26H26F3N2O/c27-26(28,29)21-19-13-15-5-1-9-30-11-3-7-17(22(15)30)24(19)32-25-18-8-4-12-31-10-2-6-16(23(18)31)14-20(21)25/h13-14H,1-12H2/q+1
InChIKeySXRQNPUGMFPJPI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
rhodamine 700 (CHEBI:52312) is a organic cation (CHEBI:25697)
rhodamine 700 (CHEBI:52312) is a organic heteroheptacyclic compound (CHEBI:52157)
Incoming Relation(s)
rhodamine 700 perchlorate (CHEBI:52311) has part rhodamine 700 (CHEBI:52312)
IUPAC Name 
9-(trifluoromethyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium
Registry NumbersSources
Beilstein:4044219Beilstein