disodium (E,4E)-4-[(5-chloranylfuran-2-yl)methylidene]-3-methyl-pent-2-enedioate

Systemtic Name: disodium (E,4E)-4-[(5-chloranylfuran-2-yl)methylidene]-3-methyl-pent-2-enedioate Openeye Name: disodium (E,4E)-4-[(5-chloro-2-furyl)methylene]-3-methyl-pent-2-enedioate CAS Name: disodium (E,4E)-4-[(5-chloro-2-furanyl)methylidene]-3-methyl-2-pentenedioate IUPAC Name: disodium (E,4E)-4-[(5-chlorofuran-2-yl)methylidene]-3-methylpent-2-enedioate Traditional Name: disodium (E,4E)-4-[(5-chloro-2-furyl)methylene]-3-methyl-pent-2-enedioate Formula: C11H7ClNa2O5 MolecularWeight: 300.60282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)[O-])C(=CC1=CC=C(O1)Cl)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C/C(=C\C(=O)[O-])/C(=C\C1=CC=C(O1)Cl)/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C11H9ClO5.2Na/c1-6(4-10(13)14)8(11(15)16)5-7-2-3-9(12)17-7;;/h2-5H,1H3,(H,13,14)(H,15,16);;/q;2*+1/p-2/b6-4+,8-5+;;