benzenemethanaminium, n-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt
Basic information
- CAS
25305-94-6- Standard SMILES
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
FVGANPIKNNCIKX-UHFFFAOYSA-N- Molecular formula
- C37H36N2O9S3
- Average molar mass
- 748.9 g/mol
- Monoisotopic mass
- 748.15829425
Names & identifiers
- Preferred name
- benzenemethanaminium, n-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt
- IUPAC
- 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfophenyl)methyl]anilino]methyl]benzenesulfonate
Names & synonyms
25305-94-6benzenemethanaminium, n-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner saltBenzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner saltRefChem:3248723-[[N-Ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfophenyl)methyl]anilino]methyl]benzenesulfonateFD and C Green No. 2NSC9619DTXSID10859900(1Z,4Z)-N-Ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium3-[(Ethyl{(1Z,4Z)-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonateethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-sulfophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]ammoniumN-Ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-sulfophenyl)-methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfobenzene-methanaminium hydroxide, inner salt
Show more names
N-Ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfobenzenemethanaminium hydroxide inner salt, 9CI
Database identifiers
- CAS
25305-94-6、5141-20-8- PubChem CID
- 452941
- DTXSID
DTXSID10859900
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,620
Experimental & physicochemical properties
Melting Point288 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use ClassificationFood Additives -> COLOUR -> JECFA Functional Classes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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