(4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester

HCID 257599

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Basic information

CAS: 38775-52-9
Standard SMILES: CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OCC)cc2)cc1
InChIKey: SFQDUATXFZWGHZ-UHFFFAOYSA-N
Molecular formula: C20H22O8S
Average molar mass: 422.5 g/mol
Monoisotopic mass: 422.10353883

Names & identifiers

Preferred name: (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester
IUPAC: ethyl 2-[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]sulfonylphenoxy]acetate

Names & synonyms

38775-52-9Diethyl 2,2'-((sulfonylbis(4,1-phenylene))bis(oxy))diacetate(4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl esterCHEMBL175003NSC85753diethyl 2,2'-[sulfonylbis(4,1-phenyleneoxy)]diacetate[4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy]acetic acid ethyl esterdiethyl 2,2'-[sulfonylbis(benzene-4,1-diyloxy)]diacetateNSC 85753Oprea1_773042MLS000532144DTXSID50192040

Show more names

HMS2503E08BDBM50056832NSC-85753AKOS001033944NCGC00245717-01SMR000137085Z18435849Diethyl2,2'-((sulfonylbis(4,1-phenylene))bis(oxy))diacetate

Database identifiers

CAS: 38775-52-9
PubChem CID: 257599
DTXSID: DTXSID50192040
ChEMBL: CHEMBL175003

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 114 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 12
Heavy atoms: 29
Formal charge: 0
Complexity: 563

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