3-(12-bromanyldodecoxy)-4-phenyl-benzoate

Systemtic Name: 3-(12-bromanyldodecoxy)-4-phenyl-benzoate Openeye Name: 3-(12-bromododecoxy)-4-phenyl-benzoate CAS Name: 3-(12-bromododecoxy)-4-phenylbenzoate IUPAC Name: 3-(12-bromododecoxy)-4-phenylbenzoate Traditional Name: 3-(12-bromododecoxy)-4-phenyl-benzoate Formula: C25H32BrO3- MolecularWeight: 460.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrO3/c26-18-12-7-5-3-1-2-4-6-8-13-19-29-24-20-22(25(27)28)16-17-23(24)21-14-10-9-11-15-21/h9-11,14-17,20H,1-8,12-13,18-19H2,(H,27,28)/p-1