(4-methylphenyl) 3-chloranyl-4-octoxy-benzoate

Systemtic Name: (4-methylphenyl) 3-chloranyl-4-octoxy-benzoate Openeye Name: p-tolyl 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid p-tolyl ester Formula: C22H27ClO3 MolecularWeight: 374.90098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C22H27ClO3/c1-3-4-5-6-7-8-15-25-21-14-11-18(16-20(21)23)22(24)26-19-12-9-17(2)10-13-19/h9-14,16H,3-8,15H2,1-2H3