sodium (E)-4-oxidanylidene-4-(2,3,5,6-tetramethylphenyl)but-2-enoate

Systemtic Name: sodium (E)-4-oxidanylidene-4-(2,3,5,6-tetramethylphenyl)but-2-enoate Openeye Name: sodium (E)-4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoate CAS Name: sodium (E)-4-oxo-4-(2,3,5,6-tetramethylphenyl)-2-butenoate IUPAC Name: sodium (E)-4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoate Traditional Name: sodium (E)-4-keto-4-(2,3,5,6-tetramethylphenyl)but-2-enoate Formula: C14H15NaO3 MolecularWeight: 254.25687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)C=CC(=O)[O-])C)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)/C=C/C(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C14H16O3.Na/c1-8-7-9(2)11(4)14(10(8)3)12(15)5-6-13(16)17;/h5-7H,1-4H3,(H,16,17);/q;+1/p-1/b6-5+;