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88172-99-0 | Benzamide, 3-[(7-hydroxy-2-naphthalenyl)sulfonyl]-N,N-dioctadecyl-
CAS No: 88172-99-0 Catalog No: AG004CKI MDL No:
Product Description
Catalog Number:
AG004CKI
Chemical Name:
Benzamide, 3-[(7-hydroxy-2-naphthalenyl)sulfonyl]-N,N-dioctadecyl-
CAS Number:
88172-99-0
Molecular Formula:
C53H85NO4S
Molecular Weight:
832.3113
IUPAC Name:
3-(7-hydroxynaphthalen-2-yl)sulfonyl-N,N-dioctadecylbenzamide
InChI:
InChI=1S/C53H85NO4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42-54(43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)53(56)48-36-35-37-51(45-48)59(57,58)52-41-39-47-38-40-50(55)44-49(47)46-52/h35-41,44-46,55H,3-34,42-43H2,1-2H3
InChI Key:
SIHPMNGQBDGHJA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN(C(=O)c1cccc(c1)S(=O)(=O)c1ccc2c(c1)cc(cc2)O)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
831.62g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
832.326g/mol
Monoisotopic Mass:
831.62g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.7
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