OntologieschebiclassesCHEBI:52827   
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DY-681(1-)
http://purl.obolibrary.org/obo/CHEBI_52827

An anionic C3 cyanine-type compound having indoleinine and chromenylium substituents at either end.

Also appears inslm
Exact Synonyms
2-{3-[4-tert-butyl-7-(diethylamino)-2H-chromen-2-ylidene]prop-1-en-1-yl}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate
2-{3-[4-tert-butyl-7-(diethylamino)chromenium-2-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
class Information
charge

-1

formula

C36H45N2O9S2

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C36H46N2O9S2/c1-7-37(8-2)25-15-17-28-29(35(3,4)5)23-26(47-32(28)22-25)12-9-13-33-36(6,19-10-14-34(39)40)30-24-27(49(44,45)46)16-18-31(30)38(33)20-11-21-48(41,42)43/h9,12-13,15-18,22-24H,7-8,10-11,14,19-21H2,1-6H3,(H2-,39,40,41,42,43,44,45,46)/p-1

inchikey

RKHCUIVOUVDSDS-UHFFFAOYSA-M

in_subset

3_STAR

mass

713.88100

monoisotopicmass

713.25720

smiles

[H]C(=C([H])c1cc(c2ccc(cc2[o+]1)N(CC)CC)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O

class Relations
Related from
has part