methyl 2-methoxy-5-nitro-4-sulfanyl-benzoate

Systemtic Name: methyl 2-methoxy-5-nitro-4-sulfanyl-benzoate Openeye Name: methyl 2-methoxy-5-nitro-4-sulfanyl-benzoate CAS Name: 4-mercapto-2-methoxy-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-nitro-4-sulfanylbenzoate Traditional Name: 4-mercapto-2-methoxy-5-nitro-benzoic acid methyl ester Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])S

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])S

InChI

InChI=1S/C9H9NO5S/c1-14-7-4-8(16)6(10(12)13)3-5(7)9(11)15-2/h3-4,16H,1-2H3