4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid

C25H20O6SSn — CID 16712019

IUPAC4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(S(=O)(=O)O)ccc1O
InChIInChI=1S/C7H6O6S.3C6H5.Sn/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;3*1-2-4-6-5-3-1;/h1-3,8H,(H,9,10)(H,11,12,13);3*1-5H;/q;;;;+1/p-1
InChIKeyKXQVTGKIFGVTCW-UHFFFAOYSA-M
MW567.21 g/mol
LogP2.46
Rot. Bonds6

About 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid

4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid (PubChem CID 16712019) has the molecular formula C25H20O6SSn and a molecular weight of 567.21 g/mol. Its IUPAC name is 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid.

Molecular Properties

Compound Name4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid
PubChem CID16712019
Molecular FormulaC25H20O6SSn
Molecular Weight567.21 g/mol
Exact Mass568.00
IUPAC Name4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(S(=O)(=O)O)ccc1O
InChIInChI=1S/C7H6O6S.3C6H5.Sn/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;3*1-2-4-6-5-3-1;/h1-3,8H,(H,9,10)(H,11,12,13);3*1-5H;/q;;;;+1/p-1
InChIKeyKXQVTGKIFGVTCW-UHFFFAOYSA-M
XLogP2.46
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.21
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid?
The IUPAC name of 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid (CID 16712019) is 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid.
What is the SMILES notation for 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid?
The canonical SMILES for 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid is O=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(S(=O)(=O)O)ccc1O.
What is the InChIKey of 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid?
The InChIKey is KXQVTGKIFGVTCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O6S.3C6H5.Sn/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;3*1-2-4-6-5-3-1;/h1-3,8H,(H,9,10)(H,11,12,13);3*1-5H;/q;;;;+1/p-1.
What are the key properties of 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid?
4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid has a molecular weight of 567.21 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-triphenylstannyloxycarbonylbenzenesulfonic acid is sourced from PubChem (CID 16712019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).