5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-3-hexyl-2,6-bis(oxidanylidene)pyrimidin-4-olate

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-3-hexyl-2,6-bis(oxidanylidene)pyrimidin-4-olate Openeye Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-3-hexyl-2,6-dioxo-pyrimidin-4-olate CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-3-hexyl-2,6-dioxo-4-pyrimidinolate IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-hexyl-2,6-dioxopyrimidin-4-olate Traditional Name: 3-hexyl-2,6-diketo-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]pyrimidin-4-olate Formula: C20H23N2O7- MolecularWeight: 403.40582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=O)NC1=O)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2)[O-]

Isomeric SMILES

CCCCCCN1C(=C(C(=O)NC1=O)[C@@H]2C3=C(C(=C(C=C3)OC)OC)C(=O)O2)[O-]

InChI

InChI=1S/C20H24N2O7/c1-4-5-6-7-10-22-18(24)14(17(23)21-20(22)26)15-11-8-9-12(27-2)16(28-3)13(11)19(25)29-15/h8-9,15,24H,4-7,10H2,1-3H3,(H,21,23,26)/p-1/t15-/m0/s1