二甲酚橙

CAS号
CCD编号
CCD01390415
分子式
C31 H30 N2 O13 S . 2 Na
分子量
716.625

基本信息

产品名称: 二甲酚橙
中文同义词: 二甲酚橙
英文同义词: 3,3'-BIS[N,N-BIS(CARBOXYMETHYL)AMINOMETHYL]-O-CRESOLSULFONEPHTHALEIN DISODIUM SALT ; XYLENOL ORANGE DISODIUM SALT
MDL号: MFCD11975231
氢键受体数量: 15
氢键供体数量: 4
Smile: Cc1cc(cc(c1O)CN(CC(=O)O)CC(=O)[O-])C2(c3ccccc3S(=O)(=O)O2)c4cc(c(c(c4)CN(CC(=O)O)CC(=O)[O-])O)C.[Na+].[Na+]
InChi: InChI=1S/C31H32N2O13S.2Na/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);;/q;2*+1/p-2
InChiKey: InChIKey=VSTGRFJOMRKXJV-UHFFFAOYSA-L

性质

注解: CASRN: 1611-35-4 (FREE ACID)
QUALITY: FOR SPECTROPHOTOMETRIC DETERMINATION OF METAL IONS
WGK: 3

安全信息

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