200,000+ products from a single source!

sales@angenechem.com

Home > Nitro Compounds > 85851-56-5

85851-56-5

85851-56-5 | 2,7-Naphthalenedisulfonicacid,5-[2-[2,6-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]-5-[2-(4-sulfo-1-naphthalenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-,sodium salt (1:3)

CAS No: 85851-56-5 Catalog No: AG004R51 MDL No:

Product Description

Catalog Number:
AG004R51
Chemical Name:
2,7-Naphthalenedisulfonicacid,5-[2-[2,6-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]-5-[2-(4-sulfo-1-naphthalenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-,sodium salt (1:3)
CAS Number:
85851-56-5
Molecular Formula:
C38H21N10Na3O16S3
Molecular Weight:
1038.7951
IUPAC Name:
trisodium;5-[[2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]-5-[(4-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C38H24N10O16S3.3Na/c49-36-29(43-39-20-5-9-22(10-6-20)47(52)53)18-30(44-41-27-13-14-31(66(59,60)61)26-4-2-1-3-25(26)27)37(50)35(36)46-42-28-17-24(65(56,57)58)15-19-16-32(67(62,63)64)34(38(51)33(19)28)45-40-21-7-11-23(12-8-21)48(54)55;;;/h1-18,49-51H,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3
InChI Key:
OLWYNQQCANTKHN-UHFFFAOYSA-K
SMILES:
Oc1c(N=Nc2ccc(cc2)[N+](=O)[O-])cc(c(c1N=Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)[O-])O)N=Nc1ccc(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
288-616-8

Properties

Complexity:
2180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1037.999g/mol
Formal Charge:
0
Heavy Atom Count:
70  
Hydrogen Bond Acceptor Count:
24  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
1038.789g/mol
Monoisotopic Mass:
1037.999g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
448A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Related Products

© 2019 Angene International Limited. All rights Reserved.