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CHEBI:63296 - DY-682(2−)

ChEBI IDCHEBI:63296
ChEBI NameDY-682(2−)
Stars
ASCII NameDY-682(2-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 4-tert-butyl-2-{-3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-7-[ethyl(3-sulfopropyl)amino]chromenium.
Last Modified28 November 2011
SubmitterSteve
DownloadsMolfile
FormulaC37H46N2O12S3
Net Charge-2
Average Mass806.978
Monoisotopic Mass806.22239
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)c2ccc(N(CC)CCCS(=O)(=O)[O-])cc2[o+]1
InChIInChI=1S/C37H48N2O12S3/c1-6-38(19-9-21-52(42,43)44)26-14-16-29-30(36(2,3)4)24-27(51-33(29)23-26)11-7-12-34-37(5,18-8-13-35(40)41)31-25-28(54(48,49)50)15-17-32(31)39(34)20-10-22-53(45,46)47/h7,11-12,14-17,23-25H,6,8-10,13,18-22H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49,50)/p-2
InChIKeyVQKCHRPCNVKMJE-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
DY-682(2−) (CHEBI:63296) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-682 (CHEBI:51975) is a DY-682(2−) (CHEBI:63296)
IUPAC Name 
2-(3-{4-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-2-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Synonym  Source
DY-682 dianionChEBI