Acid Violet 49(1694-09-3) IR1
Product NameAcid Violet 49
CAS1694-09-3
Molecular FormulaC39H42N3NaO6S2
Molecular Weight735.89
InChIInChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1
InChIKey AXMCIYLNKNGNOT-UHFFFAOYSA-M
SmilesC(C1C=CC(N(C)C)=CC=1)(=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.[Na+] |c:10,14|
