酸性湖藍(lán)A(3486-30-4)核磁圖(13CNMR)
分子式:C37H37N2NaO6S2
分子量: 692.82
InChI:InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1
InChIKey: FTUYQIPAPWPHNC-UHFFFAOYSA-M
Smiles:C1(C=CC(S([O-])(=O)=O)=CC=1S([O-])(=O)=O)C(=C1C=CC(=[N+](CC)CC2=CC=CC=C2)C=C1)C1=CC=C(N(CC)CC2=CC=CC=C2)C=C1.[Na+] |c:15,19|