3-hexyl-6-nitro-3H-2-benzofuran-1-one

Systemtic Name: 3-hexyl-6-nitro-3H-2-benzofuran-1-one Openeye Name: 3-hexyl-6-nitro-3H-isobenzofuran-1-one CAS Name: 3-hexyl-6-nitro-3H-isobenzofuran-1-one IUPAC Name: 3-hexyl-6-nitro-3H-2-benzofuran-1-one Traditional Name: 3-hexyl-6-nitro-phthalide Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CCCCCCC1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C14H17NO4/c1-2-3-4-5-6-13-11-8-7-10(15(17)18)9-12(11)14(16)19-13/h7-9,13H,2-6H2,1H3