[m-[[3,3'-[[3,3'-二(羟基)[1,1'-联 苯基]-4,4'-二基]二(偶氮)]二 [7-[[4,6-二[[3-(二乙基氨基)丙基] 氨基]-1,3,5-三嗪-2-基]氨基]-4-(羟 基)-2-萘磺酰]](6-)]]二铜酸(2-)二 氢单乙酸盐单(2-羟基丙酸盐)
(2,2'-(3,3'-Dioxidobiphenyl-4,4'-diyldiazo)bis(6-(4-(3-(diethylamino)propylamino)-6-(3-(diethylammonio)propylamino)-1,3,5-triazin-2-ylamino)-3-sulfonato-1-naphtholato))dicopper(II) acetate lactate · CAS 159604-94-1
- 中文名
- [m-[[3,3'-[[3,3'-二(羟基)[1,1'-联 苯基]-4,4'-二基]二(偶氮)]二 [7-[[4,6-二[[3-(二乙基氨基)丙基] 氨基]-1,3,5-三嗪-2-基]氨基]-4-(羟 基)-2-萘磺酰]](6-)]]二铜酸(2-)二 氢单乙酸盐单(2-羟基丙酸盐)
- 中文别名
- 暂无
- 英文名
- (2,2'-(3,3'-Dioxidobiphenyl-4,4'-diyldiazo)bis(6-(4-(3-(diethylamino)propylamino)-6-(3-(diethylammonio)propylamino)-1,3,5-triazin-2-ylamino)-3-sulfonato-1-naphtholato))dicopper(II) acetate lactate
- CAS
- 159604-94-1
- CID
- 171041350
- IUPAC 名称
- dicopper;acetic acid;7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-3-[[4-[4-[[6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1-oxido-3-sulfonatonaphthalen-2-yl]diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2-sulfonate;hydron;2-hydroxypropanoic acid
名称与编号
- 中文名
- [m-[[3,3'-[[3,3'-二(羟基)[1,1'-联 苯基]-4,4'-二基]二(偶氮)]二 [7-[[4,6-二[[3-(二乙基氨基)丙基] 氨基]-1,3,5-三嗪-2-基]氨基]-4-(羟 基)-2-萘磺酰]](6-)]]二铜酸(2-)二 氢单乙酸盐单(2-羟基丙酸盐)
- 中文别名
- 暂无
- 英文名
- (2,2'-(3,3'-Dioxidobiphenyl-4,4'-diyldiazo)bis(6-(4-(3-(diethylamino)propylamino)-6-(3-(diethylammonio)propylamino)-1,3,5-triazin-2-ylamino)-3-sulfonato-1-naphtholato))dicopper(II) acetate lactate
- CAS
- 159604-94-1
- CID
- 171041350
- IUPAC 名称
- dicopper;acetic acid;7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-3-[[4-[4-[[6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1-oxido-3-sulfonatonaphthalen-2-yl]diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2-sulfonate;hydron;2-hydroxypropanoic acid
分子属性
- 分子式
- C71H96Cu2N20O15S2
- 分子量
- 1660.9 g/mol
- 精确质量
- 1658.539739 Da
- 单同位素质量
- 1658.539739 Da
- XLogP
- 暂无
- 极性表面积
- 530 Ų
- 氢键供体
- 11
- 氢键受体
- 35
- 可旋转键
- 38
- 重原子数
- 110
- 净电荷
- 0
- 结构复杂度
- 2400
结构标识
- InChIKey
- PWRLFTZIDSVXSY-UHFFFAOYSA-J
- SMILES
- [H+].[H+].CCN(CC)CCCNC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C(C=C7C=C(C=CC7=C6[O-])NC8=NC(=NC(=N8)NCCCN(CC)CC)NCCCN(CC)CC)S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-])NCCCN(CC)CC.CC(C(=O)O)O.CC(=O)O.[Cu+2].[Cu+2]
- InChI
- InChI=1S/C66H90N20O10S2.C3H6O3.C2H4O2.2Cu/c1-9-83(10-2)33-17-29-67-61-73-62(68-30-18-34-84(11-3)12-4)76-65(75-61)71-47-23-25-49-45(37-47)41-55(97(91,92)93)57(59(49)89)81-79-51-27-21-43(39-53(51)87)44-22-28-52(54(88)40-44)80-82-58-56(98(94,95)96)42-46-38-48(24-26-50(46)60(58)90)72-66-77-63(69-31-19-35-85(13-5)14-6)74-64(78-66)70-32-20-36-86(15-7)16-8;1-2(4)3(5)6;1-2(3)4;;/h21-28,37-42,87-90H,9-20,29-36H2,1-8H3,(H,91,92,93)(H,94,95,96)(H3,67,68,71,73,75,76)(H3,69,70,72,74,77,78);2,4H,1H3,(H,5,6);1H3,(H,3,4);;/q;;;2*+2/p-4