(E)-4-methoxy-4-oxidanylidene-but-2-enoate; prop-2-enal

Systemtic Name: (E)-4-methoxy-4-oxidanylidene-but-2-enoate; prop-2-enal Openeye Name: (E)-4-methoxy-4-oxo-but-2-enoate; prop-2-enal CAS Name: (E)-4-methoxy-4-oxo-2-butenoate; 2-propenal IUPAC Name: (E)-4-methoxy-4-oxobut-2-enoate; prop-2-enal Traditional Name: acrolein; (E)-4-keto-4-methoxy-but-2-enoate Formula: C8H9O5- MolecularWeight: 185.15406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6O4.C3H4O/c1-9-5(8)3-2-4(6)7;1-2-3-4/h2-3H,1H3,(H,6,7);2-3H,1H2/p-1/b3-2+;