1-[5-[(3-hexanoyl-4-oxidanyl-phenyl)methyl]-2-oxidanyl-phenyl]hexan-1-one

Systemtic Name: 1-[5-[(3-hexanoyl-4-oxidanyl-phenyl)methyl]-2-oxidanyl-phenyl]hexan-1-one Openeye Name: 1-[5-[(3-hexanoyl-4-hydroxy-phenyl)methyl]-2-hydroxy-phenyl]hexan-1-one CAS Name: 1-[2-hydroxy-5-[[4-hydroxy-3-(1-oxohexyl)phenyl]methyl]phenyl]-1-hexanone IUPAC Name: 1-[5-[(3-hexanoyl-4-hydroxyphenyl)methyl]-2-hydroxyphenyl]hexan-1-one Traditional Name: 1-[5-(3-caproyl-4-hydroxy-benzyl)-2-hydroxy-phenyl]hexan-1-one Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)O)C(=O)CCCCC)O

Isomeric SMILES

CCCCCC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)O)C(=O)CCCCC)O

InChI

InChI=1S/C25H32O4/c1-3-5-7-9-22(26)20-16-18(11-13-24(20)28)15-19-12-14-25(29)21(17-19)23(27)10-8-6-4-2/h11-14,16-17,28-29H,3-10,15H2,1-2H3