methyl 4-cyclopentylsulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-cyclopentylsulfanyl-3-nitro-benzoate Openeye Name: methyl 4-cyclopentylsulfanyl-3-nitro-benzoate CAS Name: 4-(cyclopentylthio)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-cyclopentylsulfanyl-3-nitrobenzoate Traditional Name: 4-(cyclopentylthio)-3-nitro-benzoic acid methyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO4S/c1-18-13(15)9-6-7-12(11(8-9)14(16)17)19-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3