C.I.酸性红446
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-3-[2-[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:?) · CAS 155522-14-8
- 中文名
- C.I.酸性红446
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-3-[2-[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:?)
- CAS
- 155522-14-8
- CID
- 136170937
- IUPAC 名称
- sodium 5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[[5-(2,3-dibromopropanoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
名称与编号
- 中文名
- C.I.酸性红446
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-3-[2-[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:?)
- CAS
- 155522-14-8
- CID
- 136170937
- IUPAC 名称
- sodium 5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[[5-(2,3-dibromopropanoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
分子属性
- 分子式
- C30H22Br2ClN8NaO11S3-2
- 分子量
- 985 g/mol
- 精确质量
- 983.85026 Da
- 单同位素质量
- 981.85231 Da
- XLogP
- 暂无
- 极性表面积
- 325 Ų
- 氢键供体
- 3
- 氢键受体
- 18
- 可旋转键
- 10
- 重原子数
- 56
- 净电荷
- -2
- 结构复杂度
- 1640
结构标识
- InChIKey
- WITUADBFPJKVKZ-UHFFFAOYSA-K
- SMILES
- CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C=CC(=C5)NC(=O)C(CBr)Br)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+]
- InChI
- InChI=1S/C30H25Br2ClN8O11S3.Na/c1-2-41(17-6-4-3-5-7-17)30-37-28(33)36-29(38-30)35-21-13-18(53(44,45)46)10-15-11-23(55(50,51)52)25(26(42)24(15)21)40-39-20-12-16(34-27(43)19(32)14-31)8-9-22(20)54(47,48)49;/h3-13,19,42H,2,14H2,1H3,(H,34,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,35,36,37,38);/q;+1/p-3