phenethyl (E)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: phenethyl (E)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: phenethyl (E)-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid phenethyl ester IUPAC Name: phenethyl (E)-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid phenethyl ester Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=CC(=O)C(=O)OCCC1=CC=CC=C1)O

Isomeric SMILES

CO/C(=C/C(=O)C(=O)OCCC1=CC=CC=C1)/O

InChI

InChI=1S/C13H14O5/c1-17-12(15)9-11(14)13(16)18-8-7-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3/b12-9+