(4-octylphenyl) 2-chloranyl-4-oxidanyl-benzoate

Systemtic Name: (4-octylphenyl) 2-chloranyl-4-oxidanyl-benzoate Openeye Name: (4-octylphenyl) 2-chloro-4-hydroxy-benzoate CAS Name: 2-chloro-4-hydroxybenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-chloro-4-hydroxybenzoate Traditional Name: 2-chloro-4-hydroxy-benzoic acid (4-octylphenyl) ester Formula: C21H25ClO3 MolecularWeight: 360.8744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)O)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)O)Cl

InChI

InChI=1S/C21H25ClO3/c1-2-3-4-5-6-7-8-16-9-12-18(13-10-16)25-21(24)19-14-11-17(23)15-20(19)22/h9-15,23H,2-8H2,1H3