(4-chloranyl-3,5-dimethyl-phenyl) 4-hexoxybenzoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 4-hexoxybenzoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C21H25ClO3 MolecularWeight: 360.8744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C21H25ClO3/c1-4-5-6-7-12-24-18-10-8-17(9-11-18)21(23)25-19-13-15(2)20(22)16(3)14-19/h8-11,13-14H,4-7,12H2,1-3H3