ethyl 3-(4-nitrophenyl)sulfonyloxy-4-oxidanylidene-hexanoate

Systemtic Name: ethyl 3-(4-nitrophenyl)sulfonyloxy-4-oxidanylidene-hexanoate Openeye Name: ethyl 3-(4-nitrophenyl)sulfonyloxy-4-oxo-hexanoate CAS Name: 3-(4-nitrophenyl)sulfonyloxy-4-oxohexanoic acid ethyl ester IUPAC Name: ethyl 3-(4-nitrophenyl)sulfonyloxy-4-oxohexanoate Traditional Name: 4-keto-3-nosyloxy-hexanoic acid ethyl ester Formula: C14H17NO8S MolecularWeight: 359.35168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C(CC(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO8S/c1-3-12(16)13(9-14(17)22-4-2)23-24(20,21)11-7-5-10(6-8-11)15(18)19/h5-8,13H,3-4,9H2,1-2H3