CHEBI:90114 - Guinee green B(1+)

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ChEBI Name Guinee green B(1+)
ChEBI ID CHEBI:90114
Definition An iminium ion that is the free acid form of Guinee green B.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H37N2O6S2
Net Charge +1
Average Mass 669.833
Monoisotopic Mass 669.20876
InChI InChI=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
InChIKey SRRJCDUOSQWHGS-UHFFFAOYSA-O
SMILES C/1(=C(/C2=CC=C(C=C2)N(CC)CC3=CC(=CC=C3)S(O)(=O)=O)\C4=CC=CC=C4)\C=C/C(=[N+](\CC5=CC(=CC=C5)S(O)(=O)=O)/CC)/C=C1
ChEBI Ontology
Outgoing Guinee green B(1+) (CHEBI:90114) is a iminium ion (CHEBI:35286)
Guinee green B(1+) (CHEBI:90114) is conjugate acid of Guinee green B(1−) (CHEBI:90115)
Incoming Guinee green B(1−) (CHEBI:90115) is conjugate base of Guinee green B(1+) (CHEBI:90114)
IUPAC Name
N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(phenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium
Last Modified
27 October 2015