2-octan-3-ylbenzoic acid

Systemtic Name: 2-octan-3-ylbenzoic acid Openeye Name: 2-(1-ethylhexyl)benzoic acid CAS Name: 2-octan-3-ylbenzoic acid IUPAC Name: 2-octan-3-ylbenzoic acid Traditional Name: 2-(1-ethylhexyl)benzoic acid Formula: C15H22O2 MolecularWeight: 234.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H22O2/c1-3-5-6-9-12(4-2)13-10-7-8-11-14(13)15(16)17/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,17)