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161617-44-3 | 1,3-Benzenedisulfonic acid, 4-[[2-(2,4-dinitrophenyl)hydrazinylidene][2-(4-iodophenyl)diazenyl]methyl]-, sodium salt (1:2)
CAS No: 161617-44-3 Catalog No: AG001VQD MDL No:
Product Description
Catalog Number:
AG001VQD
Chemical Name:
1,3-Benzenedisulfonic acid, 4-[[2-(2,4-dinitrophenyl)hydrazinylidene][2-(4-iodophenyl)diazenyl]methyl]-, sodium salt (1:2)
CAS Number:
161617-44-3
Molecular Formula:
C19H11IN6Na2O10S2
Molecular Weight:
720.3389
IUPAC Name:
disodium;4-[(Z)-N-(2,4-dinitrophenyl)imino-N'-(4-iodoanilino)carbamimidoyl]benzene-1,3-disulfonate
InChI:
InChI=1S/C19H13IN6O10S2.2Na/c20-11-1-3-12(4-2-11)21-23-19(15-7-6-14(37(31,32)33)10-18(15)38(34,35)36)24-22-16-8-5-13(25(27)28)9-17(16)26(29)30;;/h1-10,21H,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b23-19-,24-22?;;
InChI Key:
HCUCBSRZYURXCZ-HMBUVDKKSA-L
SMILES:
Ic1ccc(cc1)N=NC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
719.882g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
720.333g/mol
Monoisotopic Mass:
719.882g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
272A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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