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

Systemtic Name: methyl 3-methylsulfonyl-2-nitro-4-pentyl-benzoate Openeye Name: methyl 3-methylsulfonyl-2-nitro-4-pentyl-benzoate CAS Name: 3-methylsulfonyl-2-nitro-4-pentylbenzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-2-nitro-4-pentylbenzoate Traditional Name: 4-amyl-3-mesyl-2-nitro-benzoic acid methyl ester Formula: C14H19NO6S MolecularWeight: 329.36876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C14H19NO6S/c1-4-5-6-7-10-8-9-11(14(16)21-2)12(15(17)18)13(10)22(3,19)20/h8-9H,4-7H2,1-3H3