200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 85959-46-2
85959-46-2 | Benzenesulfonic acid,2,4-bis[2-[2,6-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-
CAS No: 85959-46-2 Catalog No: AG004W2F MDL No:
Product Description
Catalog Number:
AG004W2F
Chemical Name:
Benzenesulfonic acid,2,4-bis[2-[2,6-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-
CAS Number:
85959-46-2
Molecular Formula:
C30H20N10O11S
Molecular Weight:
728.6052
IUPAC Name:
2,4-bis[[2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C30H20N10O11S/c41-24-12-10-21(34-31-16-1-6-19(7-2-16)39(45)46)29(43)27(24)37-33-18-5-14-26(52(49,50)51)23(15-18)36-38-28-25(42)13-11-22(30(28)44)35-32-17-3-8-20(9-4-17)40(47)48/h1-15,41-44H,(H,49,50,51)
InChI Key:
LACCTZFLEKWPTD-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1N=Nc1ccc(c(c1)N=Nc1c(O)ccc(c1O)N=Nc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O)O)N=Nc1ccc(cc1)[N+](=O)[O-]
EC Number:
289-039-4
Properties
Complexity:
1440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
728.103g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
728.609g/mol
Monoisotopic Mass:
728.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
334A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.