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CHEBI:63294 - DY-677(2−)

ChEBI IDCHEBI:63294
ChEBI NameDY-677(2−)
Stars
ASCII NameDY-677(2-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 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-2-phenyl-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium
Last Modified28 November 2011
SubmitterSteve
DownloadsMolfile
FormulaC43H46N2O12S3
Net Charge-2
Average Mass879.044
Monoisotopic Mass878.22239
SMILES[H]C(C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)=C([H])c1cc(-c2ccccc2)[o+]c2cc3c(cc12)C(C)=CC(C)(C)N3CCCS(=O)(=O)[O-]
InChIInChI=1S/C43H48N2O12S3/c1-29-28-42(2,3)45(21-11-23-59(51,52)53)37-27-39-34(26-33(29)37)31(24-38(57-39)30-12-6-5-7-13-30)14-8-15-40-43(4,19-9-16-41(46)47)35-25-32(60(54,55)56)17-18-36(35)44(40)20-10-22-58(48,49)50/h5-8,12-15,17-18,24-28H,9-11,16,19-23H2,1-4H3,(H3-,46,47,48,49,50,51,52,53,54,55,56)/p-2
InChIKeyLGIUVMVUVJAPPL-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
DY-677(2−) (CHEBI:63294) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-677 (CHEBI:51968) has part DY-677(2−) (CHEBI:63294)
IUPAC Name 
3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-2-{3-[6,8,8-trimethyl-2-phenyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}indoline-5-sulfonate
Synonym  Source
DY-677 dianionChEBI