propyl 3-methylsulfonylbenzoate

Systemtic Name: propyl 3-methylsulfonylbenzoate Openeye Name: propyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid propyl ester IUPAC Name: propyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid propyl ester Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C11H14O4S/c1-3-7-15-11(12)9-5-4-6-10(8-9)16(2,13)14/h4-6,8H,3,7H2,1-2H3