3-[[Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonate
Basic information
- CAS
6638-02-4- Standard SMILES
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2)cc1- InChIKey
SRRJCDUOSQWHGS-UHFFFAOYSA-N- Molecular formula
- C37H36N2O6S2
- Average molar mass
- 668.8 g/mol
- Monoisotopic mass
- 668.20147922
Names & identifiers
- Preferred name
- 3-[[Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonate
- IUPAC
- 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
Names & synonyms
6638-02-4FD&C green No. 1, parentNSC47768NSC-47768ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]ammonium3-[[ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonateCQJ9P67Z94CHEMBL4301164DTXSID5048001SRRJCDUOSQWHGS-UHFFFAOYSA-NEINECS 229-640-0NSC 47768
Show more names
3-((Ethyl(4-((4-(ethyl(3-sulfobenzyl)iminio)cyclohexa-2,5-dien-1-ylidene)(phenyl)methyl)phenyl)amino)methyl)benzenesulfonate3-[(Ethyl{4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonateBenzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner saltHydrogen (ethyl)(4-((4-(ethyl(3-sulphonatobenzyl)amino)phenyl)phenylmethylene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammoniumN-Ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfobenzenemethanaminum inner saltN-Ethyl-N-[4-[[4-ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene-3-sulfobenzenemethanaminium hydroxide inner salt, 9CI
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,360
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…