OntologieschebiclassesCHEBI:52041   
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DY-520XL
http://purl.obolibrary.org/obo/CHEBI_52041

An iminium betaine that consists of 4-{2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethenyl}pyridine-3-sulfonate carryiing a 5-carboxypentyl substituent on the pyridine nitrogen.

Also appears inslm
Exact Synonyms
1-(5-carboxypentyl)-4-{2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethenyl}pyridinium-3-sulfonate
class Information
charge

0

formula

C26H30N2O7S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C26H30N2O7S/c1-3-28(4-2)22-12-11-20-16-21(26(31)35-23(20)17-22)10-9-19-13-15-27(18-24(19)36(32,33)34)14-7-5-6-8-25(29)30/h9-13,15-18H,3-8,14H2,1-2H3,(H-,29,30,32,33,34)

inchikey

ITOJDWVAIOLCMZ-UHFFFAOYSA-N

in_subset

3_STAR

mass

514.59100

monoisotopicmass

514.17737

smiles

[H]C(=C([H])c1cc2ccc(cc2oc1=O)N(CC)CC)c1cc[n+](CCCCCC(O)=O)cc1S([O-])(=O)=O

class Relations