2,4,4-trimethylpentyl 3-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: 2,4,4-trimethylpentyl 3-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-2-phenyl-propanoate Openeye Name: 2,4,4-trimethylpentyl 3-(2-chloro-6-methyl-phenyl)-3-oxo-2-phenyl-propanoate CAS Name: 3-(2-chloro-6-methylphenyl)-3-oxo-2-phenylpropanoic acid 2,4,4-trimethylpentyl ester IUPAC Name: 2,4,4-trimethylpentyl 3-(2-chloro-6-methylphenyl)-3-oxo-2-phenylpropanoate Traditional Name: 3-(2-chloro-6-methyl-phenyl)-3-keto-2-phenyl-propionic acid 2,4,4-trimethylpentyl ester Formula: C24H29ClO3 MolecularWeight: 400.93826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)C(=O)C(C2=CC=CC=C2)C(=O)OCC(C)CC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)C(=O)C(C2=CC=CC=C2)C(=O)OCC(C)CC(C)(C)C

InChI

InChI=1S/C24H29ClO3/c1-16(14-24(3,4)5)15-28-23(27)21(18-11-7-6-8-12-18)22(26)20-17(2)10-9-13-19(20)25/h6-13,16,21H,14-15H2,1-5H3