methyl 3-methylsulfonyl-4-propan-2-yl-2-propyl-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-propan-2-yl-2-propyl-benzoate Openeye Name: methyl 4-isopropyl-3-methylsulfonyl-2-propyl-benzoate CAS Name: 3-methylsulfonyl-4-propan-2-yl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-propan-2-yl-2-propylbenzoate Traditional Name: 4-isopropyl-3-mesyl-2-propyl-benzoic acid methyl ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1S(=O)(=O)C)C(C)C)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1S(=O)(=O)C)C(C)C)C(=O)OC

InChI

InChI=1S/C15H22O4S/c1-6-7-12-13(15(16)19-4)9-8-11(10(2)3)14(12)20(5,17)18/h8-10H,6-7H2,1-5H3