methyl 5-methylsulfonyl-4-phenyl-2-propan-2-yl-benzoate

Systemtic Name: methyl 5-methylsulfonyl-4-phenyl-2-propan-2-yl-benzoate Openeye Name: methyl 2-isopropyl-5-methylsulfonyl-4-phenyl-benzoate CAS Name: 5-methylsulfonyl-4-phenyl-2-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-4-phenyl-2-propan-2-ylbenzoate Traditional Name: 2-isopropyl-5-mesyl-4-phenyl-benzoic acid methyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-12(2)14-10-15(13-8-6-5-7-9-13)17(23(4,20)21)11-16(14)18(19)22-3/h5-12H,1-4H3