剛果紅(573-58-0)核磁圖(1HNMR)
分子式:C32H22N6Na2O6S2
分子量: 696.66
InChI:InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b37-35+,38-36+;;
InChIKey: IQFVPQOLBLOTPF-HKXUKFGYSA-L
Smiles:C12C=CC=CC1=C(N)C(/N=N/C1C=CC(C3C=CC(/N=N/C4=CC(=C5C=CC=CC5=C4N)S([O-])(=O)=O)=CC=3)=CC=1)=CC=2S([O-])(=O)=O.[Na+].[Na+]