Cas no 21973-92-2 (N-Ethyl-N-[4-[[4-(diethylamino)phenyl](2,4-dimethyl-5-sulfonato-3-sodiosulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]ethanaminium)
methylene]-2,5-cyclohexadien-1-ylidene]ethanaminium structure](https://ossimg.kuujia.com/scimg/22000/21973-92-2x500.png)
21973-92-2 structure
Product Name:N-Ethyl-N-[4-[[4-(diethylamino)phenyl](2,4-dimethyl-5-sulfonato-3-sodiosulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]ethanaminium
CAS No:21973-92-2
MF:C29H36N2NaO6S2
MW:595.725716590881
CID:262261
Update Time:2023-11-19
N-Ethyl-N-[4-[[4-(diethylamino)phenyl](2,4-dimethyl-5-sulfonato-3-sodiosulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]ethanaminium Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-dimethyl-3,5-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,inner salt, sodium salt (1:1)
- Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-dimethyl-3,5-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,i
- C.I.42055
- CID 101987806
- Acid Green 3B
- C.I.Acid Green 7
- C.I.Solvent Green 15
- Guinea Fast Green B
- N-Ethyl-N-[4-[[4-(diethylamino)phenyl](2,4-dimethyl-5-sulfonato-3-sodiosulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]ethanaminium
- Acid Green 7
- C.I.Acid Green 7:C.I.42055
-
- Inchi： 1S/C29H36N2O6S2.Na/c1-7-30(8-2)24-15-11-22(12-16-24)28(23-13-17-25(18-14-23)31(9-3)10-4)26-19-27(38(32,33)34)21(6)29(20(26)5)39(35,36)37;/h11-19H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1
- InChI Key： DEYQRLCTONFJHV-UHFFFAOYSA-N
- SMILES： S(C1=C(C)C(=CC(=C1C)C(=C1C=CC(C=C1)=[N+](CC)CC)C1C=CC(=CC=1)N(CC)CC)S(=O)(=O)O)(=O)(=O)[O-].[Na+] |c:10,17|
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 40
- Rotatable Bond Count: 9
- Complexity: 1130
- Topological Polar Surface Area: 135
N-Ethyl-N-[4-[[4-(diethylamino)phenyl](2,4-dimethyl-5-sulfonato-3-sodiosulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]ethanaminium Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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