5-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-nitro-benzoic acid

Systemtic Name: 5-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-nitro-benzoic acid Openeye Name: 5-(3-methoxy-3-oxo-propyl)sulfanyl-2-nitro-benzoic acid CAS Name: 5-[(3-methoxy-3-oxopropyl)thio]-2-nitrobenzoic acid IUPAC Name: 5-(3-methoxy-3-oxopropyl)sulfanyl-2-nitrobenzoic acid Traditional Name: 5-[(3-keto-3-methoxy-propyl)thio]-2-nitro-benzoic acid Formula: C11H11NO6S MolecularWeight: 285.27314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6S/c1-18-10(13)4-5-19-7-2-3-9(12(16)17)8(6-7)11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)