disodium (E,4E)-4-[(4-bromophenyl)methylidene]-3-methyl-pent-2-enedioate

Systemtic Name: disodium (E,4E)-4-[(4-bromophenyl)methylidene]-3-methyl-pent-2-enedioate Openeye Name: disodium (E,4E)-4-[(4-bromophenyl)methylene]-3-methyl-pent-2-enedioate CAS Name: disodium (E,4E)-4-[(4-bromophenyl)methylidene]-3-methyl-2-pentenedioate IUPAC Name: disodium (E,4E)-4-[(4-bromophenyl)methylidene]-3-methylpent-2-enedioate Traditional Name: disodium (E,4E)-4-(4-bromobenzylidene)-3-methyl-pent-2-enedioate Formula: C13H9BrNa2O4 MolecularWeight: 355.0917

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)[O-])C(=CC1=CC=C(C=C1)Br)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrO4.2Na/c1-8(6-12(15)16)11(13(17)18)7-9-2-4-10(14)5-3-9;;/h2-7H,1H3,(H,15,16)(H,17,18);;/q;2*+1/p-2/b8-6+,11-7+;;