4-(1-ethoxy-1-oxidanylidene-propan-2-yl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-(1-ethoxy-1-oxidanylidene-propan-2-yl)sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(2-ethoxy-1-methyl-2-oxo-ethyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(1-ethoxy-1-oxopropan-2-yl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(1-ethoxy-1-oxopropan-2-yl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(2-ethoxy-2-keto-1-methyl-ethyl)thio]-3-nitro-benzoic acid Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6S/c1-3-19-12(16)7(2)20-10-5-4-8(11(14)15)6-9(10)13(17)18/h4-7H,3H2,1-2H3,(H,14,15)