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115511-92-7 | Benzenesulfonic acid, 2-[bis[4-(acetyloxy)phenyl]methyl]-, phenyl ester
CAS No: 115511-92-7 Catalog No: AG000G42 MDL No:
Product Description
Catalog Number:
AG000G42
Chemical Name:
Benzenesulfonic acid, 2-[bis[4-(acetyloxy)phenyl]methyl]-, phenyl ester
CAS Number:
115511-92-7
Molecular Formula:
C29H24O7S
Molecular Weight:
516.5617
IUPAC Name:
[4-[(4-acetyloxyphenyl)-(2-phenoxysulfonylphenyl)methyl]phenyl] acetate
InChI:
InChI=1S/C29H24O7S/c1-20(30)34-24-16-12-22(13-17-24)29(23-14-18-25(19-15-23)35-21(2)31)27-10-6-7-11-28(27)37(32,33)36-26-8-4-3-5-9-26/h3-19,29H,1-2H3
InChI Key:
GMCZGVIPFQPBQT-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(c1ccccc1S(=O)(=O)Oc1ccccc1)c1ccc(cc1)OC(=O)C
Properties
Complexity:
808
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.124g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.564g/mol
Monoisotopic Mass:
516.124g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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