4-[4-(1-hexanoyloxyethyl)phenyl]benzoic acid

Systemtic Name: 4-[4-(1-hexanoyloxyethyl)phenyl]benzoic acid Openeye Name: 4-[4-(1-hexanoyloxyethyl)phenyl]benzoic acid CAS Name: 4-[4-[1-(1-oxohexoxy)ethyl]phenyl]benzoic acid IUPAC Name: 4-[4-(1-hexanoyloxyethyl)phenyl]benzoic acid Traditional Name: 4-[4-(1-caproyloxyethyl)phenyl]benzoic acid Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCC(=O)OC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H24O4/c1-3-4-5-6-20(22)25-15(2)16-7-9-17(10-8-16)18-11-13-19(14-12-18)21(23)24/h7-15H,3-6H2,1-2H3,(H,23,24)