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

Systemtic Name: methyl 5-methylsulfonyl-2-nitro-4-pentyl-benzoate Openeye Name: methyl 5-methylsulfonyl-2-nitro-4-pentyl-benzoate CAS Name: 5-methylsulfonyl-2-nitro-4-pentylbenzoic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-2-nitro-4-pentylbenzoate Traditional Name: 4-amyl-5-mesyl-2-nitro-benzoic acid methyl ester Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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