butanal; (E)-4-oxidanylidene-4-phenoxy-but-2-enoate

Systemtic Name: butanal; (E)-4-oxidanylidene-4-phenoxy-but-2-enoate Openeye Name: butanal; (E)-4-oxo-4-phenoxy-but-2-enoate CAS Name: butanal; (E)-4-oxo-4-phenoxy-2-butenoate IUPAC Name: butanal; (E)-4-oxo-4-phenoxybut-2-enoate Traditional Name: butyraldehyde; (E)-4-keto-4-phenoxy-but-2-enoate Formula: C14H15O5- MolecularWeight: 263.2659

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=O.C1=CC=C(C=C1)OC(=O)C=CC(=O)[O-]

Isomeric SMILES

CCCC=O.C1=CC=C(C=C1)OC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C10H8O4.C4H8O/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8;1-2-3-4-5/h1-7H,(H,11,12);4H,2-3H2,1H3/p-1/b7-6+;