(E)-2-(phenylmethyl)hex-3-enedioic acid

Systemtic Name: (E)-2-(phenylmethyl)hex-3-enedioic acid Openeye Name: (E)-2-benzylhex-3-enedioic acid CAS Name: (E)-2-(phenylmethyl)-3-hexenedioic acid IUPAC Name: (E)-2-benzylhex-3-enedioic acid Traditional Name: (E)-2-benzylhex-3-enedioic acid Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c14-12(15)8-4-7-11(13(16)17)9-10-5-2-1-3-6-10/h1-7,11H,8-9H2,(H,14,15)(H,16,17)/b7-4+