(2,6-ditert-butyl-4-methyl-phenyl) (2S)-2-[4-(chloromethyl)phenyl]butanoate

Systemtic Name: (2,6-ditert-butyl-4-methyl-phenyl) (2S)-2-[4-(chloromethyl)phenyl]butanoate Openeye Name: (2,6-ditert-butyl-4-methyl-phenyl) (2S)-2-[4-(chloromethyl)phenyl]butanoate CAS Name: (2S)-2-[4-(chloromethyl)phenyl]butanoic acid (2,6-ditert-butyl-4-methylphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylphenyl) (2S)-2-[4-(chloromethyl)phenyl]butanoate Traditional Name: (2S)-2-[4-(chloromethyl)phenyl]butyric acid (2,6-ditert-butyl-4-methyl-phenyl) ester Formula: C26H35ClO2 MolecularWeight: 415.0079

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)CCl)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)CCl)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C26H35ClO2/c1-9-20(19-12-10-18(16-27)11-13-19)24(28)29-23-21(25(3,4)5)14-17(2)15-22(23)26(6,7)8/h10-15,20H,9,16H2,1-8H3/t20-/m0/s1