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

Systemtic Name: (4-decylphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-cyano-benzoate Openeye Name: (4-decylphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-cyanobenzoic acid (4-decylphenyl) ester IUPAC Name: (4-decylphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-cyanobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoic acid (4-decylphenyl) ester Formula: C29H36ClNO4 MolecularWeight: 498.05344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C29H36ClNO4/c1-4-5-6-7-8-9-10-11-12-22-13-16-25(17-14-22)34-28(32)23-15-18-26(24(19-23)20-31)35-29(33)27(30)21(2)3/h13-19,21,27H,4-12H2,1-3H3