154161-81-6 (磺胺喹恶啉-N-羟基琥珀酰亚胺酯,Cyclobutenediylium,1-[(5-chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-3-[[5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]methyl]-2,4-dihydroxy-,bis(inner salt) (9CI))

CAS号:
154161-81-6
中文名称:
磺胺喹恶啉-N-羟基琥珀酰亚胺酯
英文名称:
Cyclobutenediylium,1-[(5-chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-3-[[5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]methyl]-2,4-dihydroxy-,bis(inner salt) (9CI)
分子式:
C34H32ClN3O6
分子量:
614.087388038635

磺胺喹恶啉-N-羟基琥珀酰亚胺酯(154161-81-6)名称与标识符

名称

中文别名:
磺胺喹恶啉-N-羟基琥珀酰亚胺酯;1-[(5-氯-1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)甲基]-3-[[5-[[(2,5-二氧代-1-吡咯烷基)氧基]羰基]-1-乙基-1,3-二氢-3,3-二甲基-2H-吲哚-2-亚基]甲基]-2,4-二羟基环丁烯二鎓二(内盐);1-[(5-氯-1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)甲基]-3-[[5-[[(2,5-二氧代-1-吡咯烷基)氧基]羰基]-1-乙基-1,3-二氢-3,3-二甲基-2H-吲哚-2-亚基]甲基]-2,4-二羟基环丁烯二二(内盐);
英文别名:
Cyclobutenediylium,1-[(5-chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-3-[[5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]methyl]-2,4-dihydroxy-,bis(inner salt) (9CI);SQ-NHS;4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate;Cyclobutenediylium,1-[(5-chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-3-[[5-[...;Cyclobutenediylium,1-[(5-chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-3-[[5-[[(2,5-dioxo-1-pyrrolidinyl)oxy];Cyclobutenediylium,1-[(5-chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-3-[[5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]methyl]-2,4-d;Squarain-carboxylate N-succinimidyl ester;1-[(5-Chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-3-[[5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]methyl]-2,4-dihydroxycyclobutenediylium bis(inner salt);

标识符

InChIKey:
RRLJXAKQFSXTLC-UHFFFAOYSA-N
Inchi:
1S/C34H32ClN3O6/c1-7-37-25-10-8-18(32(43)44-38-28(39)12-13-29(38)40)14-22(25)34(4,5)27(37)17-21-30(41)20(31(21)42)16-26-33(2,3)23-15-19(35)9-11-24(23)36(26)6/h8-11,14-17H,7,12-13H2,1-6H3
SMILES:
ClC1C=CC2=C(C=1)C(C)(C)C(C=C1C(C(=C1[O-])C=C1C(C)(C)C3C=C(C(=O)ON4C(CCC4=O)=O)C=CC=3N1CC)=O)=[N+]2C

磺胺喹恶啉-N-羟基琥珀酰亚胺酯(154161-81-6)物化性质

实验特性

  • 溶解度 : DMF: soluble

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 6
  • 重原子数量 : 44

磺胺喹恶啉-N-羟基琥珀酰亚胺酯(154161-81-6)安全信息

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