methyl 2-butyl-4-(4-methylphenyl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-butyl-4-(4-methylphenyl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-butyl-5-methylsulfonyl-4-(p-tolyl)benzoate CAS Name: 2-butyl-4-(4-methylphenyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-butyl-4-(4-methylphenyl)-5-methylsulfonylbenzoate Traditional Name: 2-butyl-5-mesyl-4-(p-tolyl)benzoic acid methyl ester Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C2=CC=C(C=C2)C)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C2=CC=C(C=C2)C)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C20H24O4S/c1-5-6-7-16-12-17(15-10-8-14(2)9-11-15)19(25(4,22)23)13-18(16)20(21)24-3/h8-13H,5-7H2,1-4H3