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CHEBI:63292 - DY-634(3−)

ChEBI IDCHEBI:63292
ChEBI NameDY-634(3−)
Stars
ASCII NameDY-634(3-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 7-[bis(3-sulfopropyl)amino]-2-tert-butyl-4-{3-[1-(3-carboxypropyl)-3-methyl-5-sulfo-3-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}chromenium.
Last Modified28 November 2011
SubmitterSteve
DownloadsMolfile
FormulaC38H47N2O15S4
Net Charge-3
Average Mass900.061
Monoisotopic Mass899.18757
SMILES[H]C(C([H])=C1N(CCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCS(=O)(=O)[O-])=C([H])c1cc(C(C)(C)C)[o+]c2cc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])ccc12
InChIInChI=1S/C38H50N2O15S4/c1-37(2,3)35-24-27(30-15-13-28(25-33(30)55-35)39(18-8-22-57(46,47)48)19-9-23-58(49,50)51)10-5-11-34-38(4,17-7-21-56(43,44)45)31-26-29(59(52,53)54)14-16-32(31)40(34)20-6-12-36(41)42/h5,10-11,13-16,24-26H,6-9,12,17-23H2,1-4H3,(H4-,41,42,43,44,45,46,47,48,49,50,51,52,53,54)/p-3
InChIKeyBWEGYZCPOQVQDD-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
DY-634(3−) (CHEBI:63292) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-634 (CHEBI:51949) has part DY-634(3−) (CHEBI:63292)
IUPAC Name 
2-(3-{7-[bis(3-sulfonatopropyl)amino]-2-tert-butylchromenium-4-yl}prop-2-en-1-ylidene)-1-(3-carboxypropyl)-3-methyl-3-(3-sulfonatopropyl)indoline-5-sulfonate
Synonym  Source
DY-634 trianionChEBI