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

Systemtic Name: 1-[3-[(5-hexanoyl-3-methyl-2-oxidanyl-phenyl)methyl]-5-methyl-4-oxidanyl-phenyl]hexan-1-one Openeye Name: 1-[3-[(5-hexanoyl-2-hydroxy-3-methyl-phenyl)methyl]-4-hydroxy-5-methyl-phenyl]hexan-1-one CAS Name: 1-[4-hydroxy-3-[[2-hydroxy-3-methyl-5-(1-oxohexyl)phenyl]methyl]-5-methylphenyl]-1-hexanone IUPAC Name: 1-[3-[(5-hexanoyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]hexan-1-one Traditional Name: 1-[3-(5-caproyl-2-hydroxy-3-methyl-benzyl)-4-hydroxy-5-methyl-phenyl]hexan-1-one Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C(=C1)CC2=CC(=CC(=C2O)C)C(=O)CCCCC)O)C

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C(=C1)CC2=CC(=CC(=C2O)C)C(=O)CCCCC)O)C

InChI

InChI=1S/C27H36O4/c1-5-7-9-11-24(28)20-13-18(3)26(30)22(15-20)17-23-16-21(14-19(4)27(23)31)25(29)12-10-8-6-2/h13-16,30-31H,5-12,17H2,1-4H3