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Home > Nitro Compounds > 85959-22-4
85959-22-4 | 2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-
CAS No: 85959-22-4 Catalog No: AG004MJM MDL No:
Product Description
Catalog Number:
AG004MJM
Chemical Name:
2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-
CAS Number:
85959-22-4
Molecular Formula:
C28H18N8O14S2
Molecular Weight:
754.6177
IUPAC Name:
5-[[2,4-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C28H18N8O14S2/c37-21-7-5-16(36(43)44)11-19(21)31-34-26-23(52(48,49)50)10-13-9-17(51(45,46)47)12-20(24(13)28(26)40)32-30-18-6-8-22(38)25(27(18)39)33-29-14-1-3-15(4-2-14)35(41)42/h1-12,37-40H,(H,45,46,47)(H,48,49,50)
InChI Key:
ZCRIAKTZUSQIMP-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cc(N=Nc2ccc(c(c2O)N=Nc2ccc(cc2)[N+](=O)[O-])O)c2c(c1)cc(c(c2O)N=Nc1cc(ccc1O)[N+](=O)[O-])S(=O)(=O)O
EC Number:
289-013-2
Properties
Complexity:
1590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
754.038g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
754.614g/mol
Monoisotopic Mass:
754.038g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
372A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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