(4-pentylphenyl) 3-chloranyl-4-oxidanyl-benzoate

Systemtic Name: (4-pentylphenyl) 3-chloranyl-4-oxidanyl-benzoate Openeye Name: (4-pentylphenyl) 3-chloro-4-hydroxy-benzoate CAS Name: 3-chloro-4-hydroxybenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 3-chloro-4-hydroxybenzoate Traditional Name: 3-chloro-4-hydroxy-benzoic acid (4-amylphenyl) ester Formula: C18H19ClO3 MolecularWeight: 318.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)O)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)O)Cl

InChI

InChI=1S/C18H19ClO3/c1-2-3-4-5-13-6-9-15(10-7-13)22-18(21)14-8-11-17(20)16(19)12-14/h6-12,20H,2-5H2,1H3