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Home Sulfos Benzenesulfonic acid,[[4-[bis[4-[(sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-,sodium salt (1:2)

Benzenesulfonic acid,[[4-[bis[4-[(sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-,sodium salt (1:2)

CAS No.:
28983-56-4
Catalog Number:
AG0039KQ
Molecular Formula:
C37H27N3Na2O9S3
Molecular Weight:
799.7995
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
1 week
United States
$82
- +
100g
1 week
United States
$155
- +
250g
1 week
United States
$287
- +
Product Description
Catalog Number:
AG0039KQ
Chemical Name:
Benzenesulfonic acid,[[4-[bis[4-[(sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-,sodium salt (1:2)
CAS Number:
28983-56-4
Molecular Formula:
C37H27N3Na2O9S3
Molecular Weight:
799.7995
MDL Number:
MFCD00058509
IUPAC Name:
disodium;4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate
InChI:
InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
InChI Key:
MCPLVIGCWWTHFH-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)c1ccc(cc1)/N=C/1\C=C/C(=C(\c2ccc(cc2)Nc2ccc(cc2)S(=O)(=O)O)/c2ccc(cc2)Nc2ccc(cc2)S(=O)(=O)[O-])/C=C1.[Na+].[Na+]
EC Number:
249-352-9
Properties
Complexity:
1620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
799.07g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
799.795g/mol
Monoisotopic Mass:
799.07g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Retinal pigmented epithelial cells cytotoxicity and apoptosis through activation of the mitochondrial intrinsic pathway: role of indocyanine green, brilliant blue and implications for chromovitrectomy. PloS one 20130101
A study of parameter setting and characterization of visible-light driven nitrogen-modified commercial TiO2 photocatalysts. Journal of hazardous materials 20110615
Methyl blue and aniline blue versus patent blue and trypan blue as vital dyes in cataract surgery: capsule staining properties and cytotoxicity to human cultured corneal endothelial cells. Journal of cataract and refractive surgery 20110601
In vivo toxicity testing of methyl blue and aniline blue as vital dyes for intraocular surgery. Retina (Philadelphia, Pa.) 20091001
Experimental evaluation of aniline and methyl blue for intraocular surgery. Retina (Philadelphia, Pa.) 20091001
Kinetics of sonophotocatalytic degradation of anionic dyes with Nano-TiO2. Environmental science & technology 20090115
Liposome-based immunostrip for the rapid detection of Salmonella. Analytical and bioanalytical chemistry 20080501
Biosorption of water-soluble dyes on magnetically modified Saccharomyces cerevisiae subsp. uvarum cells. Chemosphere 20050501
Oxytocin microinjected into dorsal motor nucleus of the vagus excites gallbladder motility via NMDA receptor-NO-cGMP pathway. Brain research 20050125
Properties