CAS 5863-47-8 MFCD12964946-Acid Blue 100 -LabNovo

SMILES: CCCCN(CCS(=O)(=O)[O-])c1ccc(C(=C2C=CC(=[N+](CCCC)CCS(=O)(=O)[O-])C=C2)c2ccc(Nc3ccc(OCC)cc3)cc2)cc1.[Na+]

Mol. Formula	C39H48N3O7S2.Na
Mol. Weight	757.944

Chemical Name	Acid Blue 100
InChIKey	NETSNTQRMHVIEK-UHFFFAOYSA-M
PubChem Substance ID	165364
InChI	InChI=1S/C39H49N3O7S2.Na/c1-4-7-25-41(27-29-50(43,44)45)36-19-11-32(12-20-36)39(31-9-15-34(16-10-31)40-35-17-23-38(24-18-35)49-6-3)33-13-21-37(22-14-33)42(26-8-5-2)28-30-51(46,47)48;/h9-24H,4-8,25-30H2,1-3H3,(H2,43,44,45,46,47,48);/q;+1/p-1

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