methyl 4-[(4-methylsulfinyl-2-phenethyl-phenoxy)methyl]benzoate

Systemtic Name: methyl 4-[(4-methylsulfinyl-2-phenethyl-phenoxy)methyl]benzoate Openeye Name: methyl 4-[(4-methylsulfinyl-2-phenethyl-phenoxy)methyl]benzoate CAS Name: 4-[(4-methylsulfinyl-2-phenethylphenoxy)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylsulfinyl-2-phenethylphenoxy)methyl]benzoate Traditional Name: 4-[(4-methylsulfinyl-2-phenethyl-phenoxy)methyl]benzoic acid methyl ester Formula: C24H24O4S MolecularWeight: 408.50996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)S(=O)C)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)S(=O)C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H24O4S/c1-27-24(25)20-11-9-19(10-12-20)17-28-23-15-14-22(29(2)26)16-21(23)13-8-18-6-4-3-5-7-18/h3-7,9-12,14-16H,8,13,17H2,1-2H3