(4-octylphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-cyano-benzoate

Systemtic Name: (4-octylphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-cyano-benzoate Openeye Name: (4-octylphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-cyanobenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-cyanobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoic acid (4-octylphenyl) ester Formula: C27H32ClNO4 MolecularWeight: 470.00028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClNO4/c1-4-5-6-7-8-9-10-20-11-14-23(15-12-20)32-26(30)21-13-16-24(22(17-21)18-29)33-27(31)25(28)19(2)3/h11-17,19,25H,4-10H2,1-3H3