(E)-3-[4-(3-methoxy-1-oxidanyl-3-oxidanylidene-propyl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-(3-methoxy-1-oxidanyl-3-oxidanylidene-propyl)phenyl]prop-2-enoate Openeye Name: (E)-3-[4-(1-hydroxy-3-methoxy-3-oxo-propyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-hydroxy-3-methoxy-3-oxopropyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[4-(1-hydroxy-3-methoxy-3-oxopropyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(1-hydroxy-3-keto-3-methoxy-propyl)phenyl]acrylate Formula: C13H13O5- MolecularWeight: 249.23932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)C=CC(=O)[O-])O

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)/C=C/C(=O)[O-])O

InChI

InChI=1S/C13H14O5/c1-18-13(17)8-11(14)10-5-2-9(3-6-10)4-7-12(15)16/h2-7,11,14H,8H2,1H3,(H,15,16)/p-1/b7-4+