5-[(E)-4-oxidanyl-4-oxidanylidene-but-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid

Systemtic Name: 5-[(E)-4-oxidanyl-4-oxidanylidene-but-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid Openeye Name: 5-[(E)-3-hydroxy-1-methyl-3-oxo-prop-1-enyl]-2-(1-phenylethoxy)benzoic acid CAS Name: 5-[(E)-4-hydroxy-4-oxobut-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid IUPAC Name: 5-[(E)-4-hydroxy-4-oxobut-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid Traditional Name: 5-[(E)-3-hydroxy-3-keto-1-methyl-prop-1-enyl]-2-(1-phenylethoxy)benzoic acid Formula: C19H18O5 MolecularWeight: 326.34322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2)C(=CC(=O)O)C)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2)/C(=C/C(=O)O)/C)C(=O)O

InChI

InChI=1S/C19H18O5/c1-12(10-18(20)21)15-8-9-17(16(11-15)19(22)23)24-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,21)(H,22,23)/b12-10+