2-[4-[4-(2-chloranyl-3-fluoranyl-hexoxy)decoxy]phenyl]benzoate

Systemtic Name: 2-[4-[4-(2-chloranyl-3-fluoranyl-hexoxy)decoxy]phenyl]benzoate Openeye Name: 2-[4-[4-(2-chloro-3-fluoro-hexoxy)decoxy]phenyl]benzoate CAS Name: 2-[4-[4-(2-chloro-3-fluorohexoxy)decoxy]phenyl]benzoate IUPAC Name: 2-[4-[4-(2-chloro-3-fluorohexoxy)decoxy]phenyl]benzoate Traditional Name: 2-[4-[4-(2-chloro-3-fluoro-hexoxy)decoxy]phenyl]benzoate Formula: C29H39ClFO4- MolecularWeight: 506.068963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCOC1=CC=C(C=C1)C2=CC=CC=C2C(=O)[O-])OCC(C(CCC)F)Cl

Isomeric SMILES

CCCCCCC(CCCOC1=CC=C(C=C1)C2=CC=CC=C2C(=O)[O-])OCC(C(CCC)F)Cl

InChI

InChI=1S/C29H40ClFO4/c1-3-5-6-7-12-23(35-21-27(30)28(31)11-4-2)13-10-20-34-24-18-16-22(17-19-24)25-14-8-9-15-26(25)29(32)33/h8-9,14-19,23,27-28H,3-7,10-13,20-21H2,1-2H3,(H,32,33)/p-1