直接黄4(3051-11-4)核磁图(13CNMR)
分子式:C26H21N4NaO8S2
分子量: 604.58
InChI:InChI=1S/C26H20N4O8S2.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b2-1+,29-27+,30-28+;;
InChIKey: YLDIUICHQPKMNH-MAPAHAHLSA-L
Smiles:C1(C=CC(/N=N/C2C=CC(O)=CC=2)=CC=1S([O-])(=O)=O)/C=C/C1=CC=C(/N=N/C2=CC=C(O)C=C2)C=C1S([O-])(=O)=O.[Na+].[Na+]