methyl 4-cyclohexylsulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-cyclohexylsulfanyl-3-nitro-benzoate Openeye Name: methyl 4-cyclohexylsulfanyl-3-nitro-benzoate CAS Name: 4-(cyclohexylthio)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-cyclohexylsulfanyl-3-nitrobenzoate Traditional Name: 4-(cyclohexylthio)-3-nitro-benzoic acid methyl ester Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO4S/c1-19-14(16)10-7-8-13(12(9-10)15(17)18)20-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3