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17766-32-4

17766-32-4 | 2-Naphthalenesulfonic acid, 6,6'-methylenebis-

CAS No: 17766-32-4 Catalog No: AG0025GE MDL No:

Product Description

Catalog Number:
AG0025GE
Chemical Name:
2-Naphthalenesulfonic acid, 6,6'-methylenebis-
CAS Number:
17766-32-4
Molecular Formula:
C21H16O6S2
Molecular Weight:
428.4781
IUPAC Name:
6-[(6-sulfonaphthalen-2-yl)methyl]naphthalene-2-sulfonic acid
InChI:
InChI=1S/C21H16O6S2/c22-28(23,24)20-7-5-16-10-14(1-3-18(16)12-20)9-15-2-4-19-13-21(29(25,26)27)8-6-17(19)11-15/h1-8,10-13H,9H2,(H,22,23,24)(H,25,26,27)
InChI Key:
NOKFJMKCHWGVBY-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)ccc(c2)Cc1ccc2c(c1)ccc(c2)S(=O)(=O)O

Properties

Complexity:
715  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.039g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
428.473g/mol
Monoisotopic Mass:
428.039g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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