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

Systemtic Name: 2-[3-chloranyl-4-[(4-oxidanylidenecyclohexyl)methyl]phenyl]propanoic acid Openeye Name: 2-[3-chloro-4-[(4-oxocyclohexyl)methyl]phenyl]propanoic acid CAS Name: 2-[3-chloro-4-[(4-oxocyclohexyl)methyl]phenyl]propanoic acid IUPAC Name: 2-[3-chloro-4-[(4-oxocyclohexyl)methyl]phenyl]propanoic acid Traditional Name: 2-[3-chloro-4-[(4-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)CC2CCC(=O)CC2)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)CC2CCC(=O)CC2)Cl)C(=O)O

InChI

InChI=1S/C16H19ClO3/c1-10(16(19)20)12-4-5-13(15(17)9-12)8-11-2-6-14(18)7-3-11/h4-5,9-11H,2-3,6-8H2,1H3,(H,19,20)