4-(3-pentan-2-yloxypropyl)benzoic acid

Systemtic Name: 4-(3-pentan-2-yloxypropyl)benzoic acid Openeye Name: 4-[3-(1-methylbutoxy)propyl]benzoic acid CAS Name: 4-(3-pentan-2-yloxypropyl)benzoic acid IUPAC Name: 4-(3-pentan-2-yloxypropyl)benzoic acid Traditional Name: 4-[3-(1-methylbutoxy)propyl]benzoic acid Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OCCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCC(C)OCCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H22O3/c1-3-5-12(2)18-11-4-6-13-7-9-14(10-8-13)15(16)17/h7-10,12H,3-6,11H2,1-2H3,(H,16,17)