[(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate

C36H29O8Sb — CID 170458940

IUPAC[(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)O[Sb](OC(=O)c1ccccc1OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C9H8O4.3C6H5.Sb/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;3*1-2-4-6-5-3-1;/h2*2-5H,1H3,(H,11,12);3*1-5H;/q;;;;;+2/p-2
InChIKeyNUXLUIVGMCKLEH-UHFFFAOYSA-L
MW711.38 g/mol
LogP4.67
Rot. Bonds9

About [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate

[(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate (PubChem CID 170458940) has the molecular formula C36H29O8Sb and a molecular weight of 711.38 g/mol. Its IUPAC name is [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate.

Molecular Properties

Compound Name[(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate
PubChem CID170458940
Molecular FormulaC36H29O8Sb
Molecular Weight711.38 g/mol
Exact Mass710.09
IUPAC Name[(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)O[Sb](OC(=O)c1ccccc1OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C9H8O4.3C6H5.Sb/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;3*1-2-4-6-5-3-1;/h2*2-5H,1H3,(H,11,12);3*1-5H;/q;;;;;+2/p-2
InChIKeyNUXLUIVGMCKLEH-UHFFFAOYSA-L
XLogP4.67
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Salsalate
CID 5161
Methyl acetylsalicylic acid
CID 68484
o-TOLYL SALICYLATE
CID 61159
Acetylsalicylsalicylic acid
CID 10745
Acetylsalicylate
CID 3434975
Carbaspirin Calcium
CID 21975
Copper, tetrakis[mu-[2-(acetyloxy)benzoato-kappaO:kappaO']]di-
CID 92244
Methyl benzoylsalicylate
CID 285225
Acetylsalicylic anhydride
CID 15110
2,2'-Oxydibenzoic acid
CID 423920
Phenyl 2-methoxybenzoate
CID 517799
Ethanone, 1-[2-(benzoyloxy)phenyl]-
CID 77627

Frequently Asked Questions

What is the IUPAC name of [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate?
The IUPAC name of [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate (CID 170458940) is [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate.
What is the SMILES notation for [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate?
The canonical SMILES for [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate is CC(=O)Oc1ccccc1C(=O)O[Sb](OC(=O)c1ccccc1OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate?
The InChIKey is NUXLUIVGMCKLEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H8O4.3C6H5.Sb/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;3*1-2-4-6-5-3-1;/h2*2-5H,1H3,(H,11,12);3*1-5H;/q;;;;;+2/p-2.
What are the key properties of [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate?
[(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate has a molecular weight of 711.38 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-acetyloxybenzoyl)oxy-triphenyl-λ5-stibanyl] 2-acetyloxybenzoate is sourced from PubChem (CID 170458940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).