2-[4-[2-(12-bromanyldodecoxy)phenyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[2-(12-bromanyldodecoxy)phenyl]phenyl]benzoic acid Openeye Name: 2-[4-[2-(12-bromododecoxy)phenyl]phenyl]benzoic acid CAS Name: 2-[4-[2-(12-bromododecoxy)phenyl]phenyl]benzoic acid IUPAC Name: 2-[4-[2-(12-bromododecoxy)phenyl]phenyl]benzoic acid Traditional Name: 2-[4-[2-(12-bromododecoxy)phenyl]phenyl]benzoic acid Formula: C31H37BrO3 MolecularWeight: 537.52768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3OCCCCCCCCCCCCBr)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3OCCCCCCCCCCCCBr)C(=O)O

InChI

InChI=1S/C31H37BrO3/c32-23-13-7-5-3-1-2-4-6-8-14-24-35-30-18-12-11-16-28(30)26-21-19-25(20-22-26)27-15-9-10-17-29(27)31(33)34/h9-12,15-22H,1-8,13-14,23-24H2,(H,33,34)