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

Systemtic Name: methyl 5-methylsulfonyl-4-pentyl-2-propyl-benzoate Openeye Name: methyl 5-methylsulfonyl-4-pentyl-2-propyl-benzoate CAS Name: 5-methylsulfonyl-4-pentyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-4-pentyl-2-propylbenzoate Traditional Name: 4-amyl-5-mesyl-2-propyl-benzoic acid methyl ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)CCC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)CCC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C17H26O4S/c1-5-7-8-10-14-11-13(9-6-2)15(17(18)21-3)12-16(14)22(4,19)20/h11-12H,5-10H2,1-4H3