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Benzoic acid,4-hydroxy-, tributylstannyl ester structure

Benzoic acid,4-hydroxy-, tributylstannyl ester

  • CAS:7414-81-5
  • MW:427.16558
  • MF:C19H32O3Sn
 
1. Names and Identifiers
1.1 Name
Benzoic acid,4-hydroxy-, tributylstannyl ester
1.2 Synonyms
231-024-1; 4-{[(Tributylstannyl)oxy]carbonyl}phenol; Benzoic acid, 4-hydroxy-, tributylstannyl ester; Benzoic acid, p-hydroxy-, tributyltin deriv.; Benzoic acid, p-hydroxy-,tributyltin deriv. (8CI); DTXSID30225108; EINECS 231-024-1; NS00047181; Phenol, 4-[[(tributylstannyl)oxy]carbonyl]-; Phenol,4-[[(tributylstannyl)oxy]carbonyl]- (9CI); Tin, tributyl[(p-hydroxybenzoyl)oxy]-; Tin,tributyl[(p-hydroxybenzoyl)oxy]- (7CI,8CI); Tributylstannyl 4-hydroxybenzoate; Tributylstannyl p-hydroxybenzoate; Tributylstannylp-hydroxybenzoate; Tributyltin p-hydroxybenzoate; Tributyltinp-hydroxybenzoate;
1.3 CAS No.
7414-81-5
1.4 CID
16683980
1.5 EINECS
231-024-1
1.6 Molecular Formula
C19H32O3Sn
1.7 Inchi
InChI=1S/C7H6O3.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
1.8 InChkey
CINMZTUXCWJRJI-UHFFFAOYSA-M
1.9 Canonical Smiles
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=C(C=C1)O
1.10 Isomers Smiles
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=C(C=C1)O
2. Synthesis Route
7414-81-5Total: 1 Synthesis Route
 
56-35-9
56-35-9 53 Suppliers
 
99-96-7
99-96-7 354 Suppliers
 
7414-81-5
7414-81-5 1 Suppliers
3. Precursor and Product
precursor:
4. Computed Properties
  • Molecular Weight:427.16558g/mol
  • Molecular Formula:C19H32O3Sn
  • Compound Is Canonicalized:True
  • XLogP3-AA:428.137347
  • Monoisotopic Mass:428.137347
  • Complexity:303
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5
  • Heavy Atom Count::23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADcfB4MAAAAAAAAACAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyDoAAAgCIAiDSCAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYeI7CTOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==
5. Toltal 1 Suppliers View more
Tel: Update Time:2024/09/17
6. Realated Product Infomation
 
 
 
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