CHEBI:82368 - Ponceau 3R

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ChEBI Name Ponceau 3R
ChEBI ID CHEBI:82368
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H17N2Na2O7S2
Net Charge -1
Average Mass 495.45700
Monoisotopic Mass 495.02781
InChI InChI=1S/C19H18N2O7S2.2Na.H/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;;/q;;+1;/p-2/b21-20+;;;
InChIKey ZACKGRTYZWEINS-BFUOAJNWSA-L
SMILES [NaH].[Na+].Cc1cc(C)c(cc1C)\N=N\c1c(O)c(cc2cc(ccc12)S([O-])(=O)=O)S([O-])(=O)=O
ChEBI Ontology
Outgoing Ponceau 3R (CHEBI:82368) is a organic molecular entity (CHEBI:50860)
Manual Xref Database
C19293 KEGG COMPOUND
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Registry Number Type Source
3564-09-8 CAS Registry Number KEGG COMPOUND