(2-phenethylphenoxy)methyl 2-butyl-6-(methylsulfinylmethyl)benzoate

Systemtic Name: (2-phenethylphenoxy)methyl 2-butyl-6-(methylsulfinylmethyl)benzoate Openeye Name: (2-phenethylphenoxy)methyl 2-butyl-6-(methylsulfinylmethyl)benzoate CAS Name: 2-butyl-6-(methylsulfinylmethyl)benzoic acid (2-phenethylphenoxy)methyl ester IUPAC Name: (2-phenethylphenoxy)methyl 2-butyl-6-(methylsulfinylmethyl)benzoate Traditional Name: 2-butyl-6-(methylsulfinylmethyl)benzoic acid (2-phenethylphenoxy)methyl ester Formula: C28H32O4S MolecularWeight: 464.61628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)CS(=O)C)C(=O)OCOC2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C(=CC=C1)CS(=O)C)C(=O)OCOC2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C28H32O4S/c1-3-4-13-24-15-10-16-25(20-33(2)30)27(24)28(29)32-21-31-26-17-9-8-14-23(26)19-18-22-11-6-5-7-12-22/h5-12,14-17H,3-4,13,18-21H2,1-2H3