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Home > Nitro Compounds > 70210-24-1
70210-24-1 | 2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-,sodium salt (1:2)
CAS No: 70210-24-1 Catalog No: AG005KII MDL No:
Product Description
Catalog Number:
AG005KII
Chemical Name:
2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-,sodium salt (1:2)
CAS Number:
70210-24-1
Molecular Formula:
C28H16N8Na2O13S2
Molecular Weight:
782.5820
IUPAC Name:
disodium;5-[[2,4-dihydroxy-5-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C28H18N8O13S2.2Na/c37-23-13-24(38)21(12-20(23)31-29-15-1-5-17(6-2-15)35(40)41)32-33-22-11-19(50(44,45)46)9-14-10-25(51(47,48)49)27(28(39)26(14)22)34-30-16-3-7-18(8-4-16)36(42)43;;/h1-13,37-39H,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
InChI Key:
LVGAADSJOUNIDE-UHFFFAOYSA-L
SMILES:
Oc1cc(O)c(cc1N=Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)[O-])N=Nc1ccc(cc1)[N+](=O)[O-].[Na+].[Na+]
EC Number:
274-421-5
Properties
Complexity:
1520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
782.007g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
782.579g/mol
Monoisotopic Mass:
782.007g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
358A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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