2-methylidenebutanoic acid; (2E,4E)-5-phenylpenta-2,4-dienoate

Systemtic Name: 2-methylidenebutanoic acid; (2E,4E)-5-phenylpenta-2,4-dienoate Openeye Name: 2-methylenebutanoic acid; (2E,4E)-5-phenylpenta-2,4-dienoate CAS Name: 2-methylenebutanoic acid; (2E,4E)-5-phenylpenta-2,4-dienoate IUPAC Name: 2-methylidenebutanoic acid; (2E,4E)-5-phenylpenta-2,4-dienoate Traditional Name: 2-ethylacrylic acid; (2E,4E)-5-phenylpenta-2,4-dienoate Formula: C16H17O4- MolecularWeight: 273.30378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=O)O.C1=CC=C(C=C1)C=CC=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H10O2.C5H8O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-3-4(2)5(6)7/h1-9H,(H,12,13);2-3H2,1H3,(H,6,7)/p-1/b8-4+,9-5+;