2-ethylsulfanyl-5-nitro-benzoate

Systemtic Name: 2-ethylsulfanyl-5-nitro-benzoate Openeye Name: 2-ethylsulfanyl-5-nitro-benzoate CAS Name: 2-(ethylthio)-5-nitrobenzoate IUPAC Name: 2-ethylsulfanyl-5-nitrobenzoate Traditional Name: 2-(ethylthio)-5-nitro-benzoate Formula: C9H8NO4S- MolecularWeight: 226.22912

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C9H9NO4S/c1-2-15-8-4-3-6(10(13)14)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)/p-1