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

Systemtic Name: methyl 3-methylsulfonyl-4-pentyl-2-propyl-benzoate Openeye Name: methyl 3-methylsulfonyl-4-pentyl-2-propyl-benzoate CAS Name: 3-methylsulfonyl-4-pentyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-pentyl-2-propylbenzoate Traditional Name: 4-amyl-3-mesyl-2-propyl-benzoic acid methyl ester Formula: C17H26O4S MolecularWeight: 326.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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