4-[4-(12-bromanyldodecoxy)phenyl]benzoic acid

Systemtic Name: 4-[4-(12-bromanyldodecoxy)phenyl]benzoic acid Openeye Name: 4-[4-(12-bromododecoxy)phenyl]benzoic acid CAS Name: 4-[4-(12-bromododecoxy)phenyl]benzoic acid IUPAC Name: 4-[4-(12-bromododecoxy)phenyl]benzoic acid Traditional Name: 4-[4-(12-bromododecoxy)phenyl]benzoic acid Formula: C25H33BrO3 MolecularWeight: 461.43172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrO3/c26-19-9-7-5-3-1-2-4-6-8-10-20-29-24-17-15-22(16-18-24)21-11-13-23(14-12-21)25(27)28/h11-18H,1-10,19-20H2,(H,27,28)