2-(4-pentylphenyl)-4-propyl-benzoic acid

Systemtic Name: 2-(4-pentylphenyl)-4-propyl-benzoic acid Openeye Name: 2-(4-pentylphenyl)-4-propyl-benzoic acid CAS Name: 2-(4-pentylphenyl)-4-propylbenzoic acid IUPAC Name: 2-(4-pentylphenyl)-4-propylbenzoic acid Traditional Name: 2-(4-amylphenyl)-4-propyl-benzoic acid Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)O

InChI

InChI=1S/C21H26O2/c1-3-5-6-8-16-9-12-18(13-10-16)20-15-17(7-4-2)11-14-19(20)21(22)23/h9-15H,3-8H2,1-2H3,(H,22,23)