酸性红154
Acid Red 154
CAS号: 6507-79-5
IUPAC名称: disodium;3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonate
分子式: C40H34N4Na2O10S2
分子量: 840.82800
InChI: InChI=1S/C40H36N4O10S2.2Na/c1-22-16-26(8-12-32(22)41-43-36-34(55(49,50)51)18-24-6-10-28(45)20-30(24)38(36)47)40(14-4-3-5-15-40)27-9-13-33(23(2)17-27)42-44-37-35(56(52,53)54)19-25-7-11-29(46)21-31(25)39(37)48;;/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2
InChIKey: SWYAODARJIJAKL-UHFFFAOYSA-L
SMILES: CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)N=NC4=C(C=C5C=CC(=CC5=C4O)O)S(=O)(=O)[O-])C)N=NC6=C(C=C7C=CC(=CC7=C6O)O)S(=O)(=O)[O-].[Na+].[Na+]
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