octyl 5-chloranyl-2-oxidanyl-3-phenyl-benzoate

Systemtic Name: octyl 5-chloranyl-2-oxidanyl-3-phenyl-benzoate Openeye Name: octyl 5-chloro-2-hydroxy-3-phenyl-benzoate CAS Name: 5-chloro-2-hydroxy-3-phenylbenzoic acid octyl ester IUPAC Name: octyl 5-chloro-2-hydroxy-3-phenylbenzoate Traditional Name: 5-chloro-2-hydroxy-3-phenyl-benzoic acid octyl ester Formula: C21H25ClO3 MolecularWeight: 360.8744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C(=CC(=C1)Cl)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C(=CC(=C1)Cl)C2=CC=CC=C2)O

InChI

InChI=1S/C21H25ClO3/c1-2-3-4-5-6-10-13-25-21(24)19-15-17(22)14-18(20(19)23)16-11-8-7-9-12-16/h7-9,11-12,14-15,23H,2-6,10,13H2,1H3