1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bismuth;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate

2.1.2 InChI

InChI=1S/3C11H16O3.Bi/c3*1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14;/h3*6-7H,4-5H2,1-3H3,(H,13,14);/q;;;+3/p-3

2.1.3 InChI Key

UKRHKPCWTGYGIN-UHFFFAOYSA-K

2.1.4 Canonical SMILES

CC1(C2CCC1(C(=O)C2C(=O)[O-])C)C.CC1(C2CCC1(C(=O)C2C(=O)[O-])C)C.CC1(C2CCC1(C(=O)C2C(=O)[O-])C)C.[Bi+3]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2-oxo-3-bornanecarboxylic Acid Bismuth Salt

2. 19495-28-4

3. Bismocanfor

4. Lipobismuto

5. Rectobismutina

6. Angimade

7. Antiangine

8. Amygdal-om

9. Bi-valeas

10. Cardyl [french]

11. Solmuth [french]

12. Wismutcamphercarbonat

13. Solmuth

14. Bismuth-campho-carbonicum

15. Bismutum-camphorcarbonicum

16. Bismuth-subcamphocarbonicum

17. Bismuth(iii) 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate

18. Wismut-tris(d-2-oxo-3-bornancarboxylat)

19. 3-bornanecarboxylic Acid, 2-oxo-, Bismuth Salt

20. Bicyclo(2.2.1)heptane-2-carboxylic Acid, 3-oxo-1,7,7-trimethyl-, Bismuth Salt

21. Bismuth, Tris(4,7,7-trimethyl-3-oxobicyclo(2.2.1)heptane-2-carboxylato-o2,o3)-

22. Bismuth;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₄₅BiO₉
Molecular Weight	794.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	0
Exact Mass	794.28676 g/mol
Monoisotopic Mass	794.28676 g/mol
Topological Polar Surface Area	172 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	313
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4

Bismuth Camphocarbonate