CHEBI:34906 - Patent blue

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ChEBI Name Patent blue
ChEBI ID CHEBI:34906
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H31N2O6S2.Na
Net Charge 0
Average Mass 566.668
Monoisotopic Mass 566.15212
InChI InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
InChIKey SJEYSFABYSGQBG-UHFFFAOYSA-M
SMILES [Na+].CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1ccc(cc1S([O-])(=O)=O)S([O-])(=O)=O
ChEBI Ontology
Outgoing Patent blue (CHEBI:34906) is a organic molecular entity (CHEBI:50860)
Synonym Source
Patent blue KEGG COMPOUND
Manual Xref Database
C13725 KEGG COMPOUND
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Registry Number Type Source
129-17-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014