4-(2-methoxyethylsulfanyl)-3-nitro-benzoic acid

Systemtic Name: 4-(2-methoxyethylsulfanyl)-3-nitro-benzoic acid Openeye Name: 4-(2-methoxyethylsulfanyl)-3-nitro-benzoic acid CAS Name: 4-(2-methoxyethylthio)-3-nitrobenzoic acid IUPAC Name: 4-(2-methoxyethylsulfanyl)-3-nitrobenzoic acid Traditional Name: 4-(2-methoxyethylthio)-3-nitro-benzoic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COCCSC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO5S/c1-16-4-5-17-9-3-2-7(10(12)13)6-8(9)11(14)15/h2-3,6H,4-5H2,1H3,(H,12,13)