(4-octylphenyl) 2-chloranyl-4-(4-pentanoyloxyphenyl)carbonyloxy-benzoate

Systemtic Name: (4-octylphenyl) 2-chloranyl-4-(4-pentanoyloxyphenyl)carbonyloxy-benzoate Openeye Name: (4-octylphenyl) 2-chloro-4-(4-pentanoyloxybenzoyl)oxy-benzoate CAS Name: 2-chloro-4-[oxo-[4-(1-oxopentoxy)phenyl]methoxy]benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-chloro-4-(4-pentanoyloxybenzoyl)oxybenzoate Traditional Name: 2-chloro-4-(4-valeryloxybenzoyl)oxy-benzoic acid (4-octylphenyl) ester Formula: C33H37ClO6 MolecularWeight: 565.09628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)CCCC)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)CCCC)Cl

InChI

InChI=1S/C33H37ClO6/c1-3-5-7-8-9-10-11-24-13-17-27(18-14-24)39-33(37)29-22-21-28(23-30(29)34)40-32(36)25-15-19-26(20-16-25)38-31(35)12-6-4-2/h13-23H,3-12H2,1-2H3