phenyl (E)-2-oxidanylidene-4-propoxy-but-3-enoate

Systemtic Name: phenyl (E)-2-oxidanylidene-4-propoxy-but-3-enoate Openeye Name: phenyl (E)-2-oxo-4-propoxy-but-3-enoate CAS Name: (E)-2-oxo-4-propoxy-3-butenoic acid phenyl ester IUPAC Name: phenyl (E)-2-oxo-4-propoxybut-3-enoate Traditional Name: (E)-2-keto-4-propoxy-but-3-enoic acid phenyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC=CC(=O)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCO/C=C/C(=O)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H14O4/c1-2-9-16-10-8-12(14)13(15)17-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3/b10-8+