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

Systemtic Name: (4-octylphenyl) 2-chloranyl-4-pentyl-benzoate Openeye Name: (4-octylphenyl) 2-chloro-4-pentyl-benzoate CAS Name: 2-chloro-4-pentylbenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-chloro-4-pentylbenzoate Traditional Name: 4-amyl-2-chloro-benzoic acid (4-octylphenyl) ester Formula: C26H35ClO2 MolecularWeight: 415.0079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClO2/c1-3-5-7-8-9-11-12-21-14-17-23(18-15-21)29-26(28)24-19-16-22(20-25(24)27)13-10-6-4-2/h14-20H,3-13H2,1-2H3