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18355-45-8 | 6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-propylquinolinium) ditosylate
CAS No: 18355-45-8 Catalog No: AG00B6FS MDL No:
Product Description
Catalog Number:
AG00B6FS
Chemical Name:
6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-propylquinolinium) ditosylate
CAS Number:
18355-45-8
IUPAC Name:
4-methylbenzenesulfonic acid;N-(1-propylquinolin-1-ium-6-yl)-4-[4-[(1-propylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide
InChI:
InChI=1S/C38H34N4O2.2C7H8O3S/c1-3-21-41-23-5-7-31-25-33(17-19-35(31)41)39-37(43)29-13-9-27(10-14-29)28-11-15-30(16-12-28)38(44)40-34-18-20-36-32(26-34)8-6-24-42(36)22-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20,23-26H,3-4,21-22H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/p+2
InChI Key:
KVMWJXLFAAFLSE-UHFFFAOYSA-P
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
924.323g/mol
Formal Charge:
2
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
925.128g/mol
Monoisotopic Mass:
924.323g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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