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

Systemtic Name: methyl 5-methylsulfonyl-4-phenyl-2-propyl-benzoate Openeye Name: methyl 5-methylsulfonyl-4-phenyl-2-propyl-benzoate CAS Name: 5-methylsulfonyl-4-phenyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-4-phenyl-2-propylbenzoate Traditional Name: 5-mesyl-4-phenyl-2-propyl-benzoic acid methyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H20O4S/c1-4-8-14-11-15(13-9-6-5-7-10-13)17(23(3,20)21)12-16(14)18(19)22-2/h5-7,9-12H,4,8H2,1-3H3