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Home > Nitro Compounds > 85136-42-1
85136-42-1 | DISODIUM 5-[(2,4-DIHYDROXYPHENYL)AZO]-4-HYDROXY-3-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]NAPHTHALENE-2,7-DISULFONATE
CAS No: 85136-42-1 Catalog No: AG004N77 MDL No:
Product Description
Catalog Number:
AG004N77
Chemical Name:
DISODIUM 5-[(2,4-DIHYDROXYPHENYL)AZO]-4-HYDROXY-3-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]NAPHTHALENE-2,7-DISULFONATE
CAS Number:
85136-42-1
Molecular Formula:
C22H12N6Na2O14S2
Molecular Weight:
694.4720
IUPAC Name:
disodium;5-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C22H14N6O14S2.2Na/c29-11-1-2-13(17(30)7-11)23-24-14-8-12(43(37,38)39)3-9-4-18(44(40,41)42)20(22(32)19(9)14)26-25-15-5-10(27(33)34)6-16(21(15)31)28(35)36;;/h1-8,29-32H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2
InChI Key:
UTQVACCAACVQCQ-UHFFFAOYSA-L
SMILES:
Oc1ccc(c(c1)O)N=Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
285-767-1
Properties
Complexity:
1320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
693.965g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
694.466g/mol
Monoisotopic Mass:
693.965g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
353A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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