Home Sulfos Calcium 3-hydroxy-4-((4-methyl-2-sulfonatophenyl)diazenyl)-2-naphthoate

Calcium 3-hydroxy-4-((4-methyl-2-sulfonatophenyl)diazenyl)-2-naphthoate

CAS No.:
5281-04-9
Catalog Number:
AG003TSA
Molecular Formula:
C18H12CaN2O6S
Molecular Weight:
424.4407
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>85.0%(E)
1 week
United States
$125
- +
Product Description
Catalog Number:
AG003TSA
Chemical Name:
Calcium 3-hydroxy-4-((4-methyl-2-sulfonatophenyl)diazenyl)-2-naphthoate
CAS Number:
5281-04-9
Molecular Formula:
C18H12CaN2O6S
Molecular Weight:
424.4407
MDL Number:
MFCD00059529
IUPAC Name:
calcium;2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate
InChI:
InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2
InChI Key:
PZTQVMXMKVTIRC-UHFFFAOYSA-L
SMILES:
Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c([O-])c(cc2c1cccc2)C(=O)[O-].[Ca+2]
EC Number:
226-109-5
UNII:
ECW0LZ41X8
Properties
Complexity:
663  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.004g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
424.44g/mol
Monoisotopic Mass:
424.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties