[4-(2-chloranyl-3-methyl-pentanoyl)oxyphenyl] 4-(12-bromanyldodecoxy)benzoate

Systemtic Name: [4-(2-chloranyl-3-methyl-pentanoyl)oxyphenyl] 4-(12-bromanyldodecoxy)benzoate Openeye Name: [4-(2-chloro-3-methyl-pentanoyl)oxyphenyl] 4-(12-bromododecoxy)benzoate CAS Name: 4-(12-bromododecoxy)benzoic acid [4-(2-chloro-3-methyl-1-oxopentoxy)phenyl] ester IUPAC Name: [4-(2-chloro-3-methylpentanoyl)oxyphenyl] 4-(12-bromododecoxy)benzoate Traditional Name: 4-(12-bromododecoxy)benzoic acid [4-(2-chloro-3-methyl-pentanoyl)oxyphenyl] ester Formula: C31H42BrClO5 MolecularWeight: 610.01918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42BrClO5/c1-3-24(2)29(33)31(35)38-28-20-18-27(19-21-28)37-30(34)25-14-16-26(17-15-25)36-23-13-11-9-7-5-4-6-8-10-12-22-32/h14-21,24,29H,3-13,22-23H2,1-2H3