5-heptanoyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-heptanoyl-2-oxidanyl-benzoic acid Openeye Name: 5-heptanoyl-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-(1-oxoheptyl)benzoic acid IUPAC Name: 5-heptanoyl-2-hydroxybenzoic acid Traditional Name: 5-enanthyl-2-hydroxy-benzoic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O

Isomeric SMILES

CCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O

InChI

InChI=1S/C14H18O4/c1-2-3-4-5-6-12(15)10-7-8-13(16)11(9-10)14(17)18/h7-9,16H,2-6H2,1H3,(H,17,18)