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CHEBI:88281 - Sirius red F3B(6−)

ChEBI IDCHEBI:88281
ChEBI NameSirius red F3B(6−)
Stars
ASCII NameSirius red F3B(6-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red F3B (acid form).
Last Modified20 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC45H26N10O21S6
Net Charge-6
Average Mass1235.154
Monoisotopic Mass1233.96312
SMILESO=C(Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1
InChIInChI=1S/C45H32N10O21S6/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/p-6
InChIKeyIUNAENBIEJRAKZ-UHFFFAOYSA-H
ChEBI Ontology
Outgoing Relation(s)
Sirius red F3B(6−) (CHEBI:88281) is a organosulfonate oxoanion (CHEBI:33554)
Sirius red F3B(6−) (CHEBI:88281) is conjugate base of Sirius red F3B (acid form) (CHEBI:88280)
Incoming Relation(s)
Sirius red F3B (CHEBI:88279) has part Sirius red F3B(6−) (CHEBI:88281)
Sirius red F3B (acid form) (CHEBI:88280) is conjugate acid of Sirius red F3B(6−) (CHEBI:88281)
IUPAC Name 
7,7'-(carbonyldiazanediyl)bis[4-hydroxy-3-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate]
Synonym  Source
Sirius red F3B hexaanionChEBI