3-octyl-4-phenyl-benzoic acid

Systemtic Name: 3-octyl-4-phenyl-benzoic acid Openeye Name: 3-octyl-4-phenyl-benzoic acid CAS Name: 3-octyl-4-phenylbenzoic acid IUPAC Name: 3-octyl-4-phenylbenzoic acid Traditional Name: 3-octyl-4-phenyl-benzoic acid Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H26O2/c1-2-3-4-5-6-8-13-18-16-19(21(22)23)14-15-20(18)17-11-9-7-10-12-17/h7,9-12,14-16H,2-6,8,13H2,1H3,(H,22,23)