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38412-12-3 | N,N'-[(1-Methylethylidene)bis(4,1-phenyleneoxy-4,1-phenylene)]bis[6-diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonamide]
CAS No: 38412-12-3 Catalog No: AG00D3MF MDL No:
Product Description
Catalog Number:
AG00D3MF
Chemical Name:
N,N'-[(1-Methylethylidene)bis(4,1-phenyleneoxy-4,1-phenylene)]bis[6-diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonamide]
CAS Number:
38412-12-3
IUPAC Name:
2-diazonio-5-[[4-[4-[2-[4-[4-[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonylamino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfamoyl]naphthalen-1-olate
InChI:
InChI=1S/C47H34N6O8S2/c1-47(2,29-9-17-33(18-10-29)60-35-21-13-31(14-22-35)52-62(56,57)43-7-3-5-39-37(43)25-27-41(50-48)45(39)54)30-11-19-34(20-12-30)61-36-23-15-32(16-24-36)53-63(58,59)44-8-4-6-40-38(44)26-28-42(51-49)46(40)55/h3-28,52-53H,1-2H3
InChI Key:
MIRUGUODWLIXDU-UHFFFAOYSA-N
Properties
Complexity:
1710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
874.188g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
874.943g/mol
Monoisotopic Mass:
874.188g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.2
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