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

Systemtic Name: (4-nonoxyphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-cyano-benzoate Openeye Name: (4-nonoxyphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-cyanobenzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-cyanobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-cyano-benzoic acid (4-nonoxyphenyl) ester Formula: C28H34ClNO5 MolecularWeight: 500.02626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C28H34ClNO5/c1-4-5-6-7-8-9-10-17-33-23-12-14-24(15-13-23)34-27(31)21-11-16-25(22(18-21)19-30)35-28(32)26(29)20(2)3/h11-16,18,20,26H,4-10,17H2,1-3H3