3-ethylsulfanyl-5-nitro-benzoic acid

Systemtic Name: 3-ethylsulfanyl-5-nitro-benzoic acid Openeye Name: 3-ethylsulfanyl-5-nitro-benzoic acid CAS Name: 3-(ethylthio)-5-nitrobenzoic acid IUPAC Name: 3-ethylsulfanyl-5-nitrobenzoic acid Traditional Name: 3-(ethylthio)-5-nitro-benzoic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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