PFAS
全球PFAS筛查数据库
直接固棕 BX
Benzoic acid,2-hydroxy-5-[2-[4'-[2-[1-hydroxy-7-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-,sodium salt (1:2)
直接固棕BX
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直接棕B
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直接固棕 BX, Direct Brown BD, Direct Brown B, C.I.Direct Brown 59, EINECS 222-450-9, Calcomine Brown BX, Calcomine Brown BXDirect Brown B
CAS号: 3476-90-2
IUPAC名称: disodium;5-[[4-[4-[(7-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
分子式: C35H23N5Na2O7S
分子量: 703.63100
InChI: InChI=1S/C35H25N5O7S.2Na/c41-31-17-16-28(20-30(31)35(43)44)39-37-25-11-6-21(7-12-25)22-8-13-26(14-9-22)38-40-33-32(48(45,46)47)18-23-10-15-27(19-29(23)34(33)42)36-24-4-2-1-3-5-24;;/h1-20,36,41-42H,(H,43,44)(H,45,46,47);;/q;2*+1/p-2
InChIKey: KXSNOAIRJITAFI-UHFFFAOYSA-L
SMILES: C1=CC=C(C=C1)NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)[O-])O.[Na+].[Na+]
EINECS: -
