200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 74764-74-2
74764-74-2 | Benzenesulfonic acid, 2-(2-(4-nitro-2-sulfophenyl)ethenyl)-5-((4-((4-sulfophenyl)azo)phenyl)azo)-, trisodium salt
CAS No: 74764-74-2 Catalog No: AG005TPB MDL No:
Product Description
Catalog Number:
AG005TPB
Chemical Name:
Benzenesulfonic acid, 2-(2-(4-nitro-2-sulfophenyl)ethenyl)-5-((4-((4-sulfophenyl)azo)phenyl)azo)-, trisodium salt
CAS Number:
74764-74-2
Molecular Formula:
C26H16N5Na3O11S3
Molecular Weight:
739.5965
IUPAC Name:
trisodium;2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
InChI:
InChI=1S/C26H19N5O11S3.3Na/c32-31(33)23-12-4-18(26(16-23)45(40,41)42)2-1-17-3-5-22(15-25(17)44(37,38)39)30-29-20-8-6-19(7-9-20)27-28-21-10-13-24(14-11-21)43(34,35)36;;;/h1-16H,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b2-1+,28-27?,30-29?;;;
InChI Key:
KCCWXWDBPHDQCI-XOYOJFQASA-K
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)[O-])C=Cc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
277-992-9
Properties
Complexity:
1390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
738.97g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
739.587g/mol
Monoisotopic Mass:
738.97g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
292A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.