5-(3-nitro-4-oxidanylidene-6,7-dihydro-5H-1-benzothiophen-2-yl)pentanoate

Systemtic Name: 5-(3-nitro-4-oxidanylidene-6,7-dihydro-5H-1-benzothiophen-2-yl)pentanoate Openeye Name: 5-(3-nitro-4-oxo-6,7-dihydro-5H-benzothiophen-2-yl)pentanoate CAS Name: 5-(3-nitro-4-oxo-6,7-dihydro-5H-1-benzothiophen-2-yl)pentanoate IUPAC Name: 5-(3-nitro-4-oxo-6,7-dihydro-5H-1-benzothiophen-2-yl)pentanoate Traditional Name: 5-(4-keto-3-nitro-6,7-dihydro-5H-benzothiophen-2-yl)valerate Formula: C13H14NO5S- MolecularWeight: 296.31896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C(S2)CCCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C(S2)CCCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15NO5S/c15-8-4-3-6-9-12(8)13(14(18)19)10(20-9)5-1-2-7-11(16)17/h1-7H2,(H,16,17)/p-1