methyl 2-butyl-5-methylsulfonyl-4-phenyl-benzoate

Systemtic Name: methyl 2-butyl-5-methylsulfonyl-4-phenyl-benzoate Openeye Name: methyl 2-butyl-5-methylsulfonyl-4-phenyl-benzoate CAS Name: 2-butyl-5-methylsulfonyl-4-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-butyl-5-methylsulfonyl-4-phenylbenzoate Traditional Name: 2-butyl-5-mesyl-4-phenyl-benzoic acid methyl ester Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O4S/c1-4-5-9-15-12-16(14-10-7-6-8-11-14)18(24(3,21)22)13-17(15)19(20)23-2/h6-8,10-13H,4-5,9H2,1-3H3