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CHEBI:63246 - DY-732(2−)

ChEBI IDCHEBI:63246
ChEBI NameDY-732(2−)
Stars
ASCII NameDY-732(2-)
DefinitionAn organosulfonate oxoanion obtained by selective deprotonation of the sulfonic acid groups of DY-732.
Last Modified20 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC39H48N2O12S3
Net Charge-2
Average Mass833.016
Monoisotopic Mass832.23804
SMILES[H]C(=C([H])C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)C([H])=C([H])c1cc(C(C)(C)C)[o+]c2cc(N(CC)CCCS(=O)(=O)[O-])ccc12
InChIInChI=1S/C39H50N2O12S3/c1-6-40(21-11-23-54(44,45)46)29-16-18-31-28(25-36(38(2,3)4)53-34(31)26-29)13-8-7-9-14-35-39(5,20-10-15-37(42)43)32-27-30(56(50,51)52)17-19-33(32)41(35)22-12-24-55(47,48)49/h7-9,13-14,16-19,25-27H,6,10-12,15,20-24H2,1-5H3,(H3-,42,43,44,45,46,47,48,49,50,51,52)/p-2
InChIKeyMZQYBBBRPWHZMI-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
DY-732(2−) (CHEBI:63246) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-732 (CHEBI:51981) has part DY-732(2−) (CHEBI:63246)
IUPAC Name 
2-(5-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Synonym  Source
DY-732 dianionChEBI