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68228-07-9 | disodium 2-heptadecyl-1-[(3-sulphonatophenyl)methyl]-1H-benzimidazolesulphonate
CAS No: 68228-07-9 Catalog No: AG00FQ0P MDL No:
Product Description
Catalog Number:
AG00FQ0P
Chemical Name:
disodium 2-heptadecyl-1-[(3-sulphonatophenyl)methyl]-1H-benzimidazolesulphonate
CAS Number:
68228-07-9
IUPAC Name:
disodium;4-heptadecyl-1-[(3-sulfonatophenyl)methyl]benzimidazole-2-sulfonate
InChI:
InChI=1S/C31H46N2O6S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-21-18-23-29-30(27)32-31(41(37,38)39)33(29)25-26-19-17-22-28(24-26)40(34,35)36;;/h17-19,21-24H,2-16,20,25H2,1H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2
InChI Key:
AMCWVAKIUQXBRL-UHFFFAOYSA-L
EC Number:
269-402-3
Properties
Complexity:
907
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.244g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
650.801g/mol
Monoisotopic Mass:
650.244g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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