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Erioglaucine disodium salt(3844-45-9) IR2
Product NameErioglaucine disodium salt
CAS3844-45-9
Molecular FormulaC37H37N2NaO9S3
Molecular Weight772.88
InChIInChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
InChIKey SGHZXLIDFTYFHQ-UHFFFAOYSA-L
SmilesC(=C1C=CC(=[N+](CC)CC2C=CC=C(S([O-])(=O)=O)C=2)C=C1)(C1C=CC(N(CC)CC2C=CC=C(S([O-])(=O)=O)C=2)=CC=1)C1C=CC=CC=1S([O-])(=O)=O.[Na+].[Na+] |c:4,t:0|
