3-oxidanylidene-2-phenyl-heptanedioic acid

Systemtic Name: 3-oxidanylidene-2-phenyl-heptanedioic acid Openeye Name: 3-oxo-2-phenyl-heptanedioic acid CAS Name: 3-oxo-2-phenylheptanedioic acid IUPAC Name: 3-oxo-2-phenylheptanedioic acid Traditional Name: 3-keto-2-phenyl-pimelic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)CCCC(=O)O)C(=O)O

InChI

InChI=1S/C13H14O5/c14-10(7-4-8-11(15)16)12(13(17)18)9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2,(H,15,16)(H,17,18)