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CHEBI:49652 - (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID

Default Structure
ChEBI IDCHEBI:49652
ChEBI Name(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID
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DownloadsMolfile
FormulaC24H25ClO3
Net Charge0
Average Mass396.914
Monoisotopic Mass396.14922
SMILES[H]OC(=O)C([H])([H])[C@]([H])(C(=O)c1c([H])c([H])c(C#Cc2c([H])c([H])c(Cl)c([H])c2[H])c([H])c1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C24H25ClO3/c1-2-3-4-5-6-21(17-23(26)27)24(28)20-13-9-18(10-14-20)7-8-19-11-15-22(25)16-12-19/h9-16,21H,2-6,17H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyUOBFNJXLVSPHNN-OAQYLSRUSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID (CHEBI:49652) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDPDBeChem
(3R)-3-({4-[(4-chlorophenyl)ethynyl]phenyl}carbonyl)nonanoic acidPDBeChem
Manual XrefsDatabases
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