3-butylbenzoic acid

Systemtic Name: 3-butylbenzoic acid Openeye Name: 3-butylbenzoic acid CAS Name: 3-butylbenzoic acid IUPAC Name: 3-butylbenzoic acid Traditional Name: 3-butylbenzoic acid Formula: C11H14O2 MolecularWeight: 178.22766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C11H14O2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h4,6-8H,2-3,5H2,1H3,(H,12,13)