2-[3-chloranyl-4-[(2-oxidanylidenecyclohexyl)methyl]phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-[(2-oxidanylidenecyclohexyl)methyl]phenyl]propanoic acid Openeye Name: 2-[3-chloro-4-[(2-oxocyclohexyl)methyl]phenyl]propanoic acid CAS Name: 2-[3-chloro-4-[(2-oxocyclohexyl)methyl]phenyl]propanoic acid IUPAC Name: 2-[3-chloro-4-[(2-oxocyclohexyl)methyl]phenyl]propanoic acid Traditional Name: 2-[3-chloro-4-[(2-ketocyclohexyl)methyl]phenyl]propionic acid Formula: C16H19ClO3 MolecularWeight: 294.77326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)CC2CCCCC2=O)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)CC2CCCCC2=O)Cl)C(=O)O

InChI

InChI=1S/C16H19ClO3/c1-10(16(19)20)11-6-7-12(14(17)9-11)8-13-4-2-3-5-15(13)18/h6-7,9-10,13H,2-5,8H2,1H3,(H,19,20)