C.I.溶剂紫49
4-[[(Z)-1,2-dicyano-2-[(2-oxidonaphthalen-1-yl)methylideneamino]ethenyl]iminomethyl]-3-oxidonaphthalene-2-carboxylate;hydron;nickel(2+) · CAS 205057-15-4
- 中文名
- C.I.溶剂紫49
- 中文别名
- 暂无
- 英文名
- 4-[[(Z)-1,2-dicyano-2-[(2-oxidonaphthalen-1-yl)methylideneamino]ethenyl]iminomethyl]-3-oxidonaphthalene-2-carboxylate;hydron;nickel(2+)
- CAS
- 205057-15-4
- CID
- 165359903
- IUPAC 名称
- 4-[[(Z)-1,2-dicyano-2-[(2-oxidonaphthalen-1-yl)methylideneamino]ethenyl]iminomethyl]-3-oxidonaphthalene-2-carboxylate;hydron;nickel(2+)
名称与编号
- 中文名
- C.I.溶剂紫49
- 中文别名
- 暂无
- 英文名
- 4-[[(Z)-1,2-dicyano-2-[(2-oxidonaphthalen-1-yl)methylideneamino]ethenyl]iminomethyl]-3-oxidonaphthalene-2-carboxylate;hydron;nickel(2+)
- CAS
- 205057-15-4
- CID
- 165359903
- IUPAC 名称
- 4-[[(Z)-1,2-dicyano-2-[(2-oxidonaphthalen-1-yl)methylideneamino]ethenyl]iminomethyl]-3-oxidonaphthalene-2-carboxylate;hydron;nickel(2+)
分子属性
- 分子式
- C27H14N4NiO4
- 分子量
- 517.1 g/mol
- 精确质量
- 516.036847 Da
- 单同位素质量
- 516.036847 Da
- XLogP
- 暂无
- 极性表面积
- 159 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 0
- 重原子数
- 36
- 净电荷
- 0
- 结构复杂度
- 987
结构标识
- InChIKey
- WKWFSMXUDZXXHT-QMEUCFOVSA-L
- SMILES
- [H+].C1=CC=C2C(=C1)C=CC(=C2C=N/C(=C(/C#N)\N=CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])[O-])/C#N)[O-].[Ni+2]
- InChI
- InChI=1S/C27H16N4O4.Ni/c28-12-23(30-14-21-18-7-3-1-5-16(18)9-10-25(21)32)24(13-29)31-15-22-19-8-4-2-6-17(19)11-20(26(22)33)27(34)35;/h1-11,14-15,32-33H,(H,34,35);/q;+2/p-2/b24-23-,30-14?,31-15?;