sodium 2-[(E)-3-oxidanylidene-1-phenyl-but-1-en-2-yl]oxyethanoic acid

Systemtic Name: sodium 2-[(E)-3-oxidanylidene-1-phenyl-but-1-en-2-yl]oxyethanoic acid Openeye Name: sodium 2-[(1E)-1-benzylidene-2-oxo-propoxy]acetic acid CAS Name: sodium 2-[(E)-3-oxo-1-phenylbut-1-en-2-yl]oxyacetic acid IUPAC Name: sodium 2-[(E)-3-oxo-1-phenylbut-1-en-2-yl]oxyacetic acid Traditional Name: sodium 2-[(E)-1-acetyl-2-phenyl-vinyloxy]acetic acid Formula: C12H12NaO4+ MolecularWeight: 243.21105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O4.Na/c1-9(13)11(16-8-12(14)15)7-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H,14,15);/q;+1/b11-7+;