methyl 2-cyano-4-hexyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-cyano-4-hexyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-hexyl-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-hexyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-hexyl-5-methylsulfonylbenzoate Traditional Name: 2-cyano-4-hexyl-5-mesyl-benzoic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1)C#N)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1)C#N)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H21NO4S/c1-4-5-6-7-8-12-9-13(11-17)14(16(18)21-2)10-15(12)22(3,19)20/h9-10H,4-8H2,1-3H3