铜酸(1-)氢[29H,31H-酞菁磺酸 (3-)N29,N30,N31,N32]
Monosulfophthalocyaninatocopper · CAS 28901-96-4
- 中文名
- 铜酸(1-)氢[29H,31H-酞菁磺酸 (3-)N29,N30,N31,N32]
- 中文别名
- 暂无
- 英文名
- Monosulfophthalocyaninatocopper
- CAS
- 28901-96-4
- CID
- 178184132
- IUPAC 名称
- dicopper;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5-sulfonate;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-6-sulfonate;hydron
名称与编号
- 中文名
- 铜酸(1-)氢[29H,31H-酞菁磺酸 (3-)N29,N30,N31,N32]
- 中文别名
- 暂无
- 英文名
- Monosulfophthalocyaninatocopper
- CAS
- 28901-96-4
- CID
- 178184132
- IUPAC 名称
- dicopper;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5-sulfonate;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-6-sulfonate;hydron
分子属性
- 分子式
- C64H32Cu2N16O6S2
- 分子量
- 1312.3 g/mol
- 精确质量
- 1310.072409 Da
- 单同位素质量
- 1310.072409 Da
- XLogP
- 暂无
- 极性表面积
- 283 Ų
- 氢键供体
- 2
- 氢键受体
- 14
- 可旋转键
- 0
- 重原子数
- 90
- 净电荷
- 0
- 结构复杂度
- 3040
结构标识
- InChIKey
- VIWHBTVOSULEKA-UHFFFAOYSA-N
- SMILES
- [H+].[H+].C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=C(C6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=CC=CC=C94.C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=CC=CC=C94.[Cu+2].[Cu+2]
- InChI
- InChI=1S/2C32H16N8O3S.2Cu/c41-44(42,43)23-15-7-14-22-24(23)32-39-30-21-13-6-5-12-20(21)28(37-30)35-26-17-9-2-1-8-16(17)25(33-26)34-27-18-10-3-4-11-19(18)29(36-27)38-31(22)40-32;41-44(42,43)16-13-14-23-24(15-16)32-39-30-22-12-6-5-11-21(22)28(37-30)35-26-18-8-2-1-7-17(18)25(33-26)34-27-19-9-3-4-10-20(19)29(36-27)38-31(23)40-32;;/h2*1-15H,(H-2,33,34,35,36,37,38,39,40,41,42,43);;/q2*-2;2*+2