CHEBI:52312 - rhodamine 700

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rhodamine 700
ChEBI ID CHEBI:52312
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H26F3N2O
Net Charge +1
Average Mass 439.49260
Monoisotopic Mass 439.19917
InChI InChI=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
InChIKey SXRQNPUGMFPJPI-UHFFFAOYSA-N
SMILES FC(F)(F)C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34
ChEBI Ontology
Outgoing rhodamine 700 (CHEBI:52312) is a organic cation (CHEBI:25697)
rhodamine 700 (CHEBI:52312) is a organic heteroheptacyclic compound (CHEBI:52157)
Incoming 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 Number Type Source
4044219 Beilstein Registry Number Beilstein
Last Modified
17 April 2009