2-hexyl-2-oxidanyl-1-[4-(phenylcarbonyl)phenyl]octan-1-one

Systemtic Name: 2-hexyl-2-oxidanyl-1-[4-(phenylcarbonyl)phenyl]octan-1-one Openeye Name: 1-(4-benzoylphenyl)-2-hexyl-2-hydroxy-octan-1-one CAS Name: 1-(4-benzoylphenyl)-2-hexyl-2-hydroxy-1-octanone IUPAC Name: 1-(4-benzoylphenyl)-2-hexyl-2-hydroxyoctan-1-one Traditional Name: 1-(4-benzoylphenyl)-2-hexyl-2-hydroxy-octan-1-one Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(C(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC(CCCCCC)(C(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C27H36O3/c1-3-5-7-12-20-27(30,21-13-8-6-4-2)26(29)24-18-16-23(17-19-24)25(28)22-14-10-9-11-15-22/h9-11,14-19,30H,3-8,12-13,20-21H2,1-2H3