[4-Oxo-4-(2-thiophenyl)-butylidene]bisphosphonic acid tetraethyl ester

HCID 85643872
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOP(=O)(OCC)C(CCC(=O)c1cccs1)P(=O)(OCC)OCC
InChIKey
RUBRRCJWBATDFZ-UHFFFAOYSA-N
Molecular formula
C16H28O7P2S
Average molar mass
426.4 g/mol

Names & identifiers

Preferred name
[4-Oxo-4-(2-thiophenyl)-butylidene]bisphosphonic acid tetraethyl ester
IUPAC
4,4-bis(diethoxyphosphoryl)-1-thiophen-2-ylbutan-1-one

Names & synonyms

SCHEMBL8831662RUBRRCJWBATDFZ-UHFFFAOYSA-N[4-Oxo-4-(2-thiophenyl)-butylidene]bisphosphonic acid tetraethyl ester

Database identifiers

PubChem CID
85643872

Properties

Computed structural properties

XLogP
2
Topological polar surface area
116 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
14
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

Loading…