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143716-16-9 | Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-, triphenylstannyl ester
CAS No: 143716-16-9 Catalog No: AG001I9B MDL No:
Product Description
Catalog Number:
AG001I9B
Chemical Name:
Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-, triphenylstannyl ester
CAS Number:
143716-16-9
Molecular Formula:
C31H32O3Sn
Molecular Weight:
571.2850
IUPAC Name:
2-carboxy-4,6-di(propan-2-yl)phenolate;triphenylstannanylium
InChI:
InChI=1S/C13H18O3.3C6H5.Sn/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;3*1-2-4-6-5-3-1;/h5-8,14H,1-4H3,(H,15,16);3*1-5H;/q;;;;+1/p-1
InChI Key:
SZGSZYHIADMUDS-UHFFFAOYSA-M
SMILES:
CC(c1cc(C(C)C)c(c(c1)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.137g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
571.304g/mol
Monoisotopic Mass:
572.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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