3-octoxy-4-phenyl-benzoate

Systemtic Name: 3-octoxy-4-phenyl-benzoate Openeye Name: 3-octoxy-4-phenyl-benzoate CAS Name: 3-octoxy-4-phenylbenzoate IUPAC Name: 3-octoxy-4-phenylbenzoate Traditional Name: 3-octoxy-4-phenyl-benzoate Formula: C21H25O3- MolecularWeight: 325.4214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-20-16-18(21(22)23)13-14-19(20)17-11-8-7-9-12-17/h7-9,11-14,16H,2-6,10,15H2,1H3,(H,22,23)/p-1