trisodiumazane3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfon
trisodium;azane;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate
| Molecular Formula | C53H51N8Na3O18S5 |
|---|---|
| Molecular Weight | 1317.3 g/mol |
| Topological Polar Surface Area | 428.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 14 |
| Exact Mass | 1316.1617 |
| Heavy Atoms | 87 |
| Complexity | 2580.0 |
Chemical Identifiers
| CAS Number | 92170-50-8 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O.C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].N.N.[Na+].[Na+].[Na+] |
| InChIKey | CNXKZKXMIIEMNW-UHFFFAOYSA-K |
📖 Product Overview
trisodiumazane3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfon (CAS: 92170-50-8) is a chemical compound with molecular formula C53H51N8Na3O18S5 and molecular weight 1317.3 g/mol. Its IUPAC systematic name is trisodium;azane;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate.
CNXKZKXMIIEMNW-UHFFFAOYSA-K.
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O.C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].N.N.[Na+].[Na+].[Na+].
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