PFAS
全球PFAS筛查数据库
食品蓝1铝色淀(FD&C Blue No. 1 aluminum lake)
食品蓝1铝色淀
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颜料蓝78, EINECS 272-939-6
CAS号: 68921-42-6
IUPAC名称: 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate
分子式: C37H36N2O9S3
分子量: 748.88500
InChI: InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)
InChIKey: CTRXDTYTAAKVSM-UHFFFAOYSA-N
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O
EINECS: 272-939-6
