[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C25H31ClO4 MolecularWeight: 430.96424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C25H31ClO4/c1-24(2,3)19-12-16(13-20(23(19)29)25(4,5)6)10-11-22(28)30-15-21(27)17-8-7-9-18(26)14-17/h7-9,12-14,29H,10-11,15H2,1-6H3