PFAS

Global PFAS Screening Tool

No. of Substances: 18960
Xylenol orange
邻甲酚磺酰酞-3,3'-双甲基亚氨基二乙酸 , N,N-[3H-2,1-苯并恶硫羟-3-亚基双[(6-羟基-5-甲基-3,1-亚苯基)亚甲基]]双[N-(羧基甲基)甘氨酸]-S,S-二氧化物 , 二甲酚橙 , 二甲酚橘黄 , 二甲酚橘黄 , 3,3'-双[N,N-双(羧甲基)氨甲基]邻甲酚磺酞二钠盐 , 3,3'-双[N,N-二(羧甲基)氨基甲基]邻甲酚磺酰酞, MFCD00014580, 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ<sup>6</sup>-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid, 2,2',2'',2'''-{(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methylbenzene-3,1-diyl)methanediylnitrilo]}tetraacetic acid, Xylenol Orange, 2,2',2'',2'''-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetic acid, Cresol Phthalexon S, EINECS 216-553-8, 3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolsulfonphthalein Disodium Salt
CAS Number: 1611-35-4
IUPAC name: 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
Molecular formula: C31H32N2O13S
Molecular weight: 672.656
InChI: InChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)
InChIKey: ORZHVTYKPFFVMG-UHFFFAOYSA-N
SMILES: -
EINECS: CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O
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