PFAS

全球PFAS筛查数据库

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GCIS

全球化学品名录

弱酸性蓝7BF(hydrogen N-[4-[[4-[butyl(2-sulphonatoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-N-(2-sulphonatoethyl)butylammonium, monosodium salt)

弱酸性蓝 7BF, Brilliant Blue 7BF, Acid Blue 100

CAS号: 5863-47-8

IUPAC名称: sodium 2-[N-butyl-4-[[4-[butyl(2-sulfonatoethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(4-ethoxyanilino)phenyl]methyl]anilino]ethanesulfonate

分子式: C39H48N3NaO7S2

分子量: 757.93400

InChI: InChI=1S/C39H49N3O7S2.Na/c1-4-7-25-41(27-29-50(43,44)45)36-19-11-32(12-20-36)39(31-9-15-34(16-10-31)40-35-17-23-38(24-18-35)49-6-3)33-13-21-37(22-14-33)42(26-8-5-2)28-30-51(46,47)48;/h9-24H,4-8,25-30H2,1-3H3,(H2,43,44,45,46,47,48);/q;+1/p-1

InChIKey: NETSNTQRMHVIEK-UHFFFAOYSA-M

SMILES: CCCCN(CCS(=O)(=O)[O-])C1=CC=C(C=C1)C(=C2C=CC(=[N+](CCCC)CCS(=O)(=O)[O-])C=C2)C3=CC=C(C=C3)NC4=CC=C(C=C4)OCC.[Na+]

EINECS: -