2-[3,4-bis(oxidanyl)butyl]-7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-2-methyl-8-propyl-3H-chromen-4-one

Systemtic Name: 2-[3,4-bis(oxidanyl)butyl]-7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-2-methyl-8-propyl-3H-chromen-4-one Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-(3,4-dihydroxybutyl)-2-methyl-8-propyl-chroman-4-one CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-(3,4-dihydroxybutyl)-2-methyl-8-propyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-(3,4-dihydroxybutyl)-2-methyl-8-propyl-3H-chromen-4-one Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-(3,4-dihydroxybutyl)-2-methyl-8-propyl-chroman-4-one Formula: C31H42O9 MolecularWeight: 558.65978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)CC(O3)(C)CCC(CO)O)CCC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)CC(O3)(C)CCC(CO)O)CCC)O

InChI

InChI=1S/C31H42O9/c1-5-7-24-27(11-9-22(19(3)33)29(24)37)38-17-21(35)18-39-28-12-10-23-26(36)15-31(4,14-13-20(34)16-32)40-30(23)25(28)8-6-2/h9-12,20-21,32,34-35,37H,5-8,13-18H2,1-4H3