5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-nitro-benzoic acid

Systemtic Name: 5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-nitro-benzoic acid Openeye Name: 5-(2-methoxy-2-oxo-ethyl)sulfanyl-2-nitro-benzoic acid CAS Name: 5-[(2-methoxy-2-oxoethyl)thio]-2-nitrobenzoic acid IUPAC Name: 5-(2-methoxy-2-oxoethyl)sulfanyl-2-nitrobenzoic acid Traditional Name: 5-[(2-keto-2-methoxy-ethyl)thio]-2-nitro-benzoic acid Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H9NO6S/c1-17-9(12)5-18-6-2-3-8(11(15)16)7(4-6)10(13)14/h2-4H,5H2,1H3,(H,13,14)