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CHEBI:90115 - Guinee green B(1−)

ChEBI IDCHEBI:90115
ChEBI NameGuinee green B(1−)
Stars
ASCII NameGuinee green B(1-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonate groups of Guinee green B(1+).
Last Modified27 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H35N2O6S2
Net Charge-1
Average Mass667.829
Monoisotopic Mass667.19420
SMILESCCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2)cc1
InChIInChI=1S/C37H36N2O6S2/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45)/p-1
InChIKeySRRJCDUOSQWHGS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Guinee green B(1−) (CHEBI:90115) is a organosulfonate oxoanion (CHEBI:33554)
Guinee green B(1−) (CHEBI:90115) is conjugate base of Guinee green B(1+) (CHEBI:90114)
Incoming Relation(s)
Guinee green B (CHEBI:90112) has part Guinee green B(1−) (CHEBI:90115)
Guinee green B(1+) (CHEBI:90114) is conjugate acid of Guinee green B(1−) (CHEBI:90115)
IUPAC Name 
3-[(ethyl{4-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonate