(2-phenethylphenoxy)methyl 2-tert-butyl-6-(methylsulfanylmethyl)benzoate

Systemtic Name: (2-phenethylphenoxy)methyl 2-tert-butyl-6-(methylsulfanylmethyl)benzoate Openeye Name: (2-phenethylphenoxy)methyl 2-tert-butyl-6-(methylsulfanylmethyl)benzoate CAS Name: 2-tert-butyl-6-[(methylthio)methyl]benzoic acid (2-phenethylphenoxy)methyl ester IUPAC Name: (2-phenethylphenoxy)methyl 2-tert-butyl-6-(methylsulfanylmethyl)benzoate Traditional Name: 2-tert-butyl-6-[(methylthio)methyl]benzoic acid (2-phenethylphenoxy)methyl ester Formula: C28H32O3S MolecularWeight: 448.61688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1C(=O)OCOC2=CC=CC=C2CCC3=CC=CC=C3)CSC

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1C(=O)OCOC2=CC=CC=C2CCC3=CC=CC=C3)CSC

InChI

InChI=1S/C28H32O3S/c1-28(2,3)24-15-10-14-23(19-32-4)26(24)27(29)31-20-30-25-16-9-8-13-22(25)18-17-21-11-6-5-7-12-21/h5-16H,17-20H2,1-4H3