Input interpretation
tributyltin benzoate
Chemical names and formulas
formula | C_6H_5CO_2Sn[(CH_2)_3CH_3]_3 Hill formula | C_19H_32O_2Sn name | tributyltin benzoate IUPAC name | benzoic acid tributylstannyl ester alternate names | benzoic acid tributylstannyl ester | tributylstannyl benzoate mass fractions | C (carbon) 55.5% | H (hydrogen) 7.84% | O (oxygen) 7.78% | Sn (tin) 28.9%
Structure diagram
Structure diagram
| bond counts | bond lengths | bond energies | 3 bonds | 1.4 Å | 602 kJ/mol | 13 bonds | 1.5 Å | 346 kJ/mol | 32 bonds | 1.1 Å | 411 kJ/mol | 1 bond | 1.2 Å | 799 kJ/mol | 1 bond | 1.4 Å | 358 kJ/mol | 3 bonds | 2.1 Å | 192 kJ/mol | 1 bond | 2 Å |
vertex count | 22 edge count | 22 Schultz index | 4242 Wiener index | 1087 Hosoya index | 27200 Balaban index | 2.692
Basic properties
molar mass | 411.17 g/mol density | 1.193 g/cm^3
Units
Chemical identifiers
CAS number | 4342-36-3 PubChem CID number | 16682834 PubChem SID number | 24866537 SMILES identifier | CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 InChI identifier | InChI=1/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H, (H, 8, 9);3*1, 3-4H2, 2H3;/q;;;;+1/p-1/fC7H5O2.3C4H9.Sn/q-1;;;;m/rC19H32O2Sn/c1-4-7-15-22(16-8-5-2, 17-9-6-3)21-19(20)18-13-11-10-12-14-18/h10-14H, 4-9, 15-17H2, 1-3H3 RTECS number | WH6710000 MDL number | MFCD00078009
Safety properties
flash point | 110 °C