sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos Benzenemethanaminium,N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodiumsalt

Benzenemethanaminium,N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodiumsalt

CAS No.:
5141-20-8
Catalog Number:
AG00ILJC
Molecular Formula:
C37H34N2Na2O9S3
Molecular Weight:
792.8484
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$66
- +
100g
≥ 70% (Dye content)
1 week
United States
$114
- +
250g
≥ 70% (Dye content)
1 week
United States
$205
- +
Product Description
Catalog Number:
AG00ILJC
Chemical 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, disodiumsalt
CAS Number:
5141-20-8
Molecular Formula:
C37H34N2Na2O9S3
Molecular Weight:
792.8484
MDL Number:
MFCD00012121
IUPAC Name:
disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate
InChI:
InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
InChI Key:
DGOBMKYRQHEFGQ-UHFFFAOYSA-L
SMILES:
CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)[O-])c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)C=C1)Cc1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
225-906-5
UNII:
3F7BHA64Z0
RTECS Number:
BQ4900000
Properties
Complexity:
1500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
792.122g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
792.844g/mol
Monoisotopic Mass:
792.122g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Administration of novel dyes for intraocular surgery: an in vivo toxicity animal study. Investigative ophthalmology & visual science 20060801
Short-term in vivo evaluation of novel vital dyes for intraocular surgery. Retina (Philadelphia, Pa.) 20060101
An evaluation of novel vital dyes for intraocular surgery. Investigative ophthalmology & visual science 20050901
Properties