4-[(E)-6-oxidanyl-6-oxidanylidene-hex-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-6-oxidanyl-6-oxidanylidene-hex-1-enyl]benzoic acid Openeye Name: 4-[(E)-6-hydroxy-6-oxo-hex-1-enyl]benzoic acid CAS Name: 4-[(E)-6-hydroxy-6-oxohex-1-enyl]benzoic acid IUPAC Name: 4-[(E)-6-hydroxy-6-oxohex-1-enyl]benzoic acid Traditional Name: 4-[(E)-6-hydroxy-6-keto-hex-1-enyl]benzoic acid Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCCCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c14-12(15)5-3-1-2-4-10-6-8-11(9-7-10)13(16)17/h2,4,6-9H,1,3,5H2,(H,14,15)(H,16,17)/b4-2+