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85587-35-5 | DIAMMONIUM 4,4'-[1,3-PHENYLENEBIS[AZO(4,6-DIAMINO-3,1-PHENYLENE)AZO]]BIS(BENZENESULPHONATE)
CAS No: 85587-35-5 Catalog No: AG00514K MDL No:
Product Description
Catalog Number:
AG00514K
Chemical Name:
DIAMMONIUM 4,4'-[1,3-PHENYLENEBIS[AZO(4,6-DIAMINO-3,1-PHENYLENE)AZO]]BIS(BENZENESULPHONATE)
CAS Number:
85587-35-5
Molecular Formula:
C30H32N14O6S2
Molecular Weight:
748.7953
IUPAC Name:
diazanium;4-[[2,4-diamino-5-[[3-[[2,4-diamino-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate
InChI:
InChI=1S/C30H26N12O6S2.2H3N/c31-23-13-25(33)29(15-27(23)39-35-17-4-8-21(9-5-17)49(43,44)45)41-37-19-2-1-3-20(12-19)38-42-30-16-28(24(32)14-26(30)34)40-36-18-6-10-22(11-7-18)50(46,47)48;;/h1-16H,31-34H2,(H,43,44,45)(H,46,47,48);2*1H3
InChI Key:
YNFWHCCJLKKICU-UHFFFAOYSA-N
SMILES:
Nc1cc(N)c(cc1N=Nc1cccc(c1)N=Nc1cc(N=Nc2ccc(cc2)S(=O)(=O)[O-])c(cc1N)N)N=Nc1ccc(cc1)S(=O)(=O)[O-].[NH4+].[NH4+]
EC Number:
287-894-8
Properties
Complexity:
1310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
748.207g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
748.798g/mol
Monoisotopic Mass:
748.207g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
336A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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