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

Systemtic Name: methyl 4-butyl-5-methylsulfonyl-2-propyl-benzoate Openeye Name: methyl 4-butyl-5-methylsulfonyl-2-propyl-benzoate CAS Name: 4-butyl-5-methylsulfonyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 4-butyl-5-methylsulfonyl-2-propylbenzoate Traditional Name: 4-butyl-5-mesyl-2-propyl-benzoic acid methyl ester Formula: C16H24O4S MolecularWeight: 312.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)CCC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)CCC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H24O4S/c1-5-7-9-13-10-12(8-6-2)14(16(17)20-3)11-15(13)21(4,18)19/h10-11H,5-9H2,1-4H3