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CHEBI:63293 - DY-652(2−)

ChEBI IDCHEBI:63293
ChEBI NameDY-652(2−)
Stars
ASCII NameDY-652(2-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 2-tert-butyl-4-{3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-6,8,8-trimethyl-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium
Last Modified28 November 2011
SubmitterSteve
DownloadsMolfile
FormulaC41H50N2O12S3
Net Charge-2
Average Mass859.054
Monoisotopic Mass858.25369
SMILES[H]C(C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)=C([H])c1cc(C(C)(C)C)[o+]c2cc3c(cc12)C(C)=CC(C)(C)N3CCCS(=O)(=O)[O-]
InChIInChI=1S/C41H52N2O12S3/c1-27-26-40(5,6)43(19-11-21-57(49,50)51)34-25-35-31(24-30(27)34)28(22-37(55-35)39(2,3)4)12-8-13-36-41(7,17-9-14-38(44)45)32-23-29(58(52,53)54)15-16-33(32)42(36)18-10-20-56(46,47)48/h8,12-13,15-16,22-26H,9-11,14,17-21H2,1-7H3,(H3-,44,45,46,47,48,49,50,51,52,53,54)/p-2
InChIKeyXHZRLIGGRMVDJI-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
DY-652(2−) (CHEBI:63293) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-652 (CHEBI:51957) has part DY-652(2−) (CHEBI:63293)
IUPAC Name 
2-{3-[2-tert-butyl-6,8,8-trimethyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Synonym  Source
DY-652 dianionChEBI