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

Systemtic Name: 5-(3-nitro-4-oxidanylidene-6,7-dihydro-5H-1-benzothiophen-2-yl)pentanoic acid Openeye Name: 5-(3-nitro-4-oxo-6,7-dihydro-5H-benzothiophen-2-yl)pentanoic acid CAS Name: 5-(3-nitro-4-oxo-6,7-dihydro-5H-1-benzothiophen-2-yl)pentanoic acid IUPAC Name: 5-(3-nitro-4-oxo-6,7-dihydro-5H-1-benzothiophen-2-yl)pentanoic acid Traditional Name: 5-(4-keto-3-nitro-6,7-dihydro-5H-benzothiophen-2-yl)valeric acid Formula: C13H15NO5S MolecularWeight: 297.3269

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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)