3-(3-bromanylpropoxy)-5-octadecoxy-benzoic acid

Systemtic Name: 3-(3-bromanylpropoxy)-5-octadecoxy-benzoic acid Openeye Name: 3-(3-bromopropoxy)-5-octadecoxy-benzoic acid CAS Name: 3-(3-bromopropoxy)-5-octadecoxybenzoic acid IUPAC Name: 3-(3-bromopropoxy)-5-octadecoxybenzoic acid Traditional Name: 3-(3-bromopropoxy)-5-stearyloxy-benzoic acid Formula: C28H47BrO4 MolecularWeight: 527.57438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCBr

InChI

InChI=1S/C28H47BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-26-22-25(28(30)31)23-27(24-26)33-21-18-19-29/h22-24H,2-21H2,1H3,(H,30,31)