4-[1-[4-[3-bromanyl-4-(2-methylbutoxy)phenyl]phenyl]octoxy]benzoate

Systemtic Name: 4-[1-[4-[3-bromanyl-4-(2-methylbutoxy)phenyl]phenyl]octoxy]benzoate Openeye Name: 4-[1-[4-[3-bromo-4-(2-methylbutoxy)phenyl]phenyl]octoxy]benzoate CAS Name: 4-[1-[4-[3-bromo-4-(2-methylbutoxy)phenyl]phenyl]octoxy]benzoate IUPAC Name: 4-[1-[4-[3-bromo-4-(2-methylbutoxy)phenyl]phenyl]octoxy]benzoate Traditional Name: 4-[1-[4-[3-bromo-4-(2-methylbutoxy)phenyl]phenyl]octoxy]benzoate Formula: C32H38BrO4- MolecularWeight: 566.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)CC)Br)OC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCCCCCC(C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)CC)Br)OC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C32H39BrO4/c1-4-6-7-8-9-10-30(37-28-18-15-26(16-19-28)32(34)35)25-13-11-24(12-14-25)27-17-20-31(29(33)21-27)36-22-23(3)5-2/h11-21,23,30H,4-10,22H2,1-3H3,(H,34,35)/p-1