4-heptanoylbenzoic acid

Systemtic Name: 4-heptanoylbenzoic acid Openeye Name: 4-heptanoylbenzoic acid CAS Name: 4-(1-oxoheptyl)benzoic acid IUPAC Name: 4-heptanoylbenzoic acid Traditional Name: 4-enanthylbenzoic acid Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-2-3-4-5-6-13(15)11-7-9-12(10-8-11)14(16)17/h7-10H,2-6H2,1H3,(H,16,17)