[2-(12-bromanyldodecoxy)-6-(2-chloranyl-3-methyl-pentanoyl)oxy-phenyl] benzoate

Systemtic Name: [2-(12-bromanyldodecoxy)-6-(2-chloranyl-3-methyl-pentanoyl)oxy-phenyl] benzoate Openeye Name: [2-(12-bromododecoxy)-6-(2-chloro-3-methyl-pentanoyl)oxy-phenyl] benzoate CAS Name: benzoic acid [2-(12-bromododecoxy)-6-(2-chloro-3-methyl-1-oxopentoxy)phenyl] ester IUPAC Name: [2-(12-bromododecoxy)-6-(2-chloro-3-methylpentanoyl)oxyphenyl] benzoate Traditional Name: benzoic acid [2-(12-bromododecoxy)-6-(2-chloro-3-methyl-pentanoyl)oxy-phenyl] ester Formula: C31H42BrClO5 MolecularWeight: 610.01918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C(=CC=C1)OCCCCCCCCCCCCBr)OC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC1=C(C(=CC=C1)OCCCCCCCCCCCCBr)OC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C31H42BrClO5/c1-3-24(2)28(33)31(35)37-27-21-17-20-26(29(27)38-30(34)25-18-13-12-14-19-25)36-23-16-11-9-7-5-4-6-8-10-15-22-32/h12-14,17-21,24,28H,3-11,15-16,22-23H2,1-2H3