[4-(3-bromanyl-3-methyl-butyl)-2-ethanoyl-3-oxidanyl-5-(phenylcarbonyloxy)phenyl] benzoate

Systemtic Name: [4-(3-bromanyl-3-methyl-butyl)-2-ethanoyl-3-oxidanyl-5-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: [2-acetyl-5-benzoyloxy-4-(3-bromo-3-methyl-butyl)-3-hydroxy-phenyl] benzoate CAS Name: benzoic acid [2-acetyl-5-benzoyloxy-4-(3-bromo-3-methylbutyl)-3-hydroxyphenyl] ester IUPAC Name: [2-acetyl-5-benzoyloxy-4-(3-bromo-3-methylbutyl)-3-hydroxyphenyl] benzoate Traditional Name: benzoic acid [2-acetyl-5-benzoyloxy-4-(3-bromo-3-methyl-butyl)-3-hydroxy-phenyl] ester Formula: C27H25BrO6 MolecularWeight: 525.3878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CCC(C)(C)Br)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CCC(C)(C)Br)O

InChI

InChI=1S/C27H25BrO6/c1-17(29)23-22(34-26(32)19-12-8-5-9-13-19)16-21(20(24(23)30)14-15-27(2,3)28)33-25(31)18-10-6-4-7-11-18/h4-13,16,30H,14-15H2,1-3H3