Acid Green 3
sodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
| Molecular Formula | C37H35N2NaO6S2 |
|---|---|
| Molecular Weight | 690.8 g/mol |
| Topological Polar Surface Area | 137.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 690.1834 |
| Heavy Atoms | 48 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 4680-78-8 |
|---|---|
| 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=C5.[Na+] |
| InChIKey | XKTMIJODWOEBKO-UHFFFAOYSA-M |
📖 Product Overview
Acid Green 3 (CAS: 4680-78-8) is a chemical compound with molecular formula C37H35N2NaO6S2 and molecular weight 690.8 g/mol. Its IUPAC systematic name is sodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate.
XKTMIJODWOEBKO-UHFFFAOYSA-M.
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=C5.[Na+].
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