disodium (Z,4Z)-3-methyl-4-(phenylmethylidene)pent-2-enedioate

Systemtic Name: disodium (Z,4Z)-3-methyl-4-(phenylmethylidene)pent-2-enedioate Openeye Name: disodium (Z,4Z)-4-benzylidene-3-methyl-pent-2-enedioate CAS Name: disodium (Z,4Z)-3-methyl-4-(phenylmethylene)-2-pentenedioate IUPAC Name: disodium (Z,4Z)-4-benzylidene-3-methylpent-2-enedioate Traditional Name: disodium (Z,4Z)-4-benzal-3-methyl-pent-2-enedioate Formula: C13H10Na2O4 MolecularWeight: 276.19564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O4.2Na/c1-9(7-12(14)15)11(13(16)17)8-10-5-3-2-4-6-10;;/h2-8H,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2/b9-7-,11-8-;;