(3-chloranyl-4-methyl-phenyl) 4-butoxybenzoate

Systemtic Name: (3-chloranyl-4-methyl-phenyl) 4-butoxybenzoate Openeye Name: (3-chloro-4-methyl-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (3-chloro-4-methylphenyl) ester IUPAC Name: (3-chloro-4-methylphenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (3-chloro-4-methyl-phenyl) ester Formula: C18H19ClO3 MolecularWeight: 318.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C18H19ClO3/c1-3-4-11-21-15-9-6-14(7-10-15)18(20)22-16-8-5-13(2)17(19)12-16/h5-10,12H,3-4,11H2,1-2H3