O1-(2,6-ditert-butyl-4-methyl-phenyl) O5-methyl (2S)-2-phenylpentanedioate

Systemtic Name: O1-(2,6-ditert-butyl-4-methyl-phenyl) O5-methyl (2S)-2-phenylpentanedioate Openeye Name: O1-(2,6-ditert-butyl-4-methyl-phenyl) O5-methyl (2S)-2-phenylpentanedioate CAS Name: (2S)-2-phenylpentanedioic acid O1-(2,6-ditert-butyl-4-methylphenyl) ester O5-methyl ester IUPAC Name: 1-O-(2,6-ditert-butyl-4-methylphenyl) 5-O-methyl (2S)-2-phenylpentanedioate Traditional Name: (2S)-2-phenylglutaric acid O1-(2,6-ditert-butyl-4-methyl-phenyl) ester O5-methyl ester Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C(CCC(=O)OC)C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)[C@@H](CCC(=O)OC)C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C27H36O4/c1-18-16-21(26(2,3)4)24(22(17-18)27(5,6)7)31-25(29)20(14-15-23(28)30-8)19-12-10-9-11-13-19/h9-13,16-17,20H,14-15H2,1-8H3/t20-/m0/s1