Home Sulfos Benzenesulfonic acid,2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, disodium salt

Benzenesulfonic acid,2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, disodium salt

CAS No.:
3244-88-0
Catalog Number:
AG00IKGD
Molecular Formula:
C20H17N3Na2O9S3
Molecular Weight:
585.5382
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
1 week
United States
$75
- +
100g
1 week
United States
$148
- +
250g
1 week
United States
$257
- +
Product Description
Catalog Number:
AG00IKGD
Chemical Name:
Benzenesulfonic acid,2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, disodium salt
CAS Number:
3244-88-0
Molecular Formula:
C20H17N3Na2O9S3
Molecular Weight:
585.5382
MDL Number:
MFCD00013286
IUPAC Name:
disodium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate
InChI:
InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
InChI Key:
WZRZTHMJPHPAMU-UHFFFAOYSA-L
SMILES:
Cc1cc(cc(c1N)S(=O)(=O)[O-])/C(=C\1/C=CC(=N)C(=C1)S(=O)(=O)O)/c1ccc(c(c1)S(=O)(=O)[O-])N.[Na+].[Na+]
EC Number:
221-816-5
Properties
Complexity:
1270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
584.992g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
585.528g/mol
Monoisotopic Mass:
584.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
270A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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Properties