methyl 4-cyclopentyl-3-methylsulfonyl-2-propyl-benzoate

Systemtic Name: methyl 4-cyclopentyl-3-methylsulfonyl-2-propyl-benzoate Openeye Name: methyl 4-cyclopentyl-3-methylsulfonyl-2-propyl-benzoate CAS Name: 4-cyclopentyl-3-methylsulfonyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclopentyl-3-methylsulfonyl-2-propylbenzoate Traditional Name: 4-cyclopentyl-3-mesyl-2-propyl-benzoic acid methyl ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1S(=O)(=O)C)C2CCCC2)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1S(=O)(=O)C)C2CCCC2)C(=O)OC

InChI

InChI=1S/C17H24O4S/c1-4-7-14-15(17(18)21-2)11-10-13(12-8-5-6-9-12)16(14)22(3,19)20/h10-12H,4-9H2,1-3H3