2-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]heptanoic acid

Systemtic Name: 2-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]heptanoic acid Openeye Name: 2-oxo-3-[(E)-3-phenylprop-2-enoyl]heptanoic acid CAS Name: 2-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]heptanoic acid IUPAC Name: 2-oxo-3-[(E)-3-phenylprop-2-enoyl]heptanoic acid Traditional Name: (E)-3-butyl-2,4-diketo-6-phenyl-hex-5-enoic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C=CC1=CC=CC=C1)C(=O)C(=O)O

Isomeric SMILES

CCCCC(C(=O)/C=C/C1=CC=CC=C1)C(=O)C(=O)O

InChI

InChI=1S/C16H18O4/c1-2-3-9-13(15(18)16(19)20)14(17)11-10-12-7-5-4-6-8-12/h4-8,10-11,13H,2-3,9H2,1H3,(H,19,20)/b11-10+