1-[3-[[3-[(3-butanoyl-2-oxidanyl-phenyl)methyl]-2-oxidanyl-phenyl]methyl]-2-oxidanyl-phenyl]butan-1-one

Systemtic Name: 1-[3-[[3-[(3-butanoyl-2-oxidanyl-phenyl)methyl]-2-oxidanyl-phenyl]methyl]-2-oxidanyl-phenyl]butan-1-one Openeye Name: 1-[3-[[3-[(3-butanoyl-2-hydroxy-phenyl)methyl]-2-hydroxy-phenyl]methyl]-2-hydroxy-phenyl]butan-1-one CAS Name: 1-[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(1-oxobutyl)phenyl]methyl]phenyl]methyl]phenyl]-1-butanone IUPAC Name: 1-[3-[[3-[(3-butanoyl-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]butan-1-one Traditional Name: 1-[3-[3-(3-butyryl-2-hydroxy-benzyl)-2-hydroxy-benzyl]-2-hydroxy-phenyl]butan-1-one Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=CC=C1)CC2=C(C(=CC=C2)CC3=CC=CC(=C3O)C(=O)CCC)O)O

Isomeric SMILES

CCCC(=O)C1=C(C(=CC=C1)CC2=C(C(=CC=C2)CC3=CC=CC(=C3O)C(=O)CCC)O)O

InChI

InChI=1S/C28H30O5/c1-3-8-24(29)22-14-6-12-20(27(22)32)16-18-10-5-11-19(26(18)31)17-21-13-7-15-23(28(21)33)25(30)9-4-2/h5-7,10-15,31-33H,3-4,8-9,16-17H2,1-2H3