benzaldehyde; methanal; propanal; prop-2-enal

Systemtic Name: benzaldehyde; methanal; propanal; prop-2-enal Openeye Name: benzaldehyde; formaldehyde; propanal; prop-2-enal CAS Name: benzaldehyde; formaldehyde; propanal; 2-propenal IUPAC Name: benzaldehyde; formaldehyde; propanal; prop-2-enal Traditional Name: acrolein; benzaldehyde; formaldehyde; propionaldehyde Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCC=O.C=CC=O.C=O.C1=CC=C(C=C1)C=O

Isomeric SMILES

CCC=O.C=CC=O.C=O.C1=CC=C(C=C1)C=O

InChI

InChI=1S/C7H6O.C3H6O.C3H4O.CH2O/c8-6-7-4-2-1-3-5-7;2*1-2-3-4;1-2/h1-6H;3H,2H2,1H3;2-3H,1H2;1H2