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136582-09-7 | Benzenesulfonamide, N,N'-(4-hydroxy-1,3-phenylene)bis[4-(dodecyloxy)-, monosodium salt (9CI)
CAS No: 136582-09-7 Catalog No: AG001240 MDL No:
Product Description
Catalog Number:
AG001240
Chemical Name:
Benzenesulfonamide, N,N'-(4-hydroxy-1,3-phenylene)bis[4-(dodecyloxy)-, monosodium salt (9CI)
CAS Number:
136582-09-7
Molecular Formula:
C42H64N2NaO7S2
Molecular Weight:
796.0865
IUPAC Name:
4-dodecoxy-N-[3-[(4-dodecoxyphenyl)sulfonylamino]-4-hydroxyphenyl]benzenesulfonamide
InChI:
InChI=1S/C42H64N2O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-50-37-24-28-39(29-25-37)52(46,47)43-36-23-32-42(45)41(35-36)44-53(48,49)40-30-26-38(27-31-40)51-34-22-20-18-16-14-12-10-8-6-4-2/h23-32,35,43-45H,3-22,33-34H2,1-2H3
InChI Key:
CSQXGPMRNVVHDI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)NS(=O)(=O)c1ccc(cc1)OCCCCCCCCCCCC)O.[Na]
EC Number:
289-471-3
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
772.415g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
773.101g/mol
Monoisotopic Mass:
772.415g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
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