4-[4-(16-bromanylhexadecoxy)phenyl]benzoic acid

Systemtic Name: 4-[4-(16-bromanylhexadecoxy)phenyl]benzoic acid Openeye Name: 4-[4-(16-bromohexadecoxy)phenyl]benzoic acid CAS Name: 4-[4-(16-bromohexadecoxy)phenyl]benzoic acid IUPAC Name: 4-[4-(16-bromohexadecoxy)phenyl]benzoic acid Traditional Name: 4-[4-(16-bromohexadecoxy)phenyl]benzoic acid Formula: C29H41BrO3 MolecularWeight: 517.53804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)OCCCCCCCCCCCCCCCCBr)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)OCCCCCCCCCCCCCCCCBr)C(=O)O

InChI

InChI=1S/C29H41BrO3/c30-23-13-11-9-7-5-3-1-2-4-6-8-10-12-14-24-33-28-21-19-26(20-22-28)25-15-17-27(18-16-25)29(31)32/h15-22H,1-14,23-24H2,(H,31,32)