1-[4-[3,4-bis(oxidanyl)-2-phenoxy-butyl]phenyl]-2-methyl-butan-1-one

Systemtic Name: 1-[4-[3,4-bis(oxidanyl)-2-phenoxy-butyl]phenyl]-2-methyl-butan-1-one Openeye Name: 1-[4-(3,4-dihydroxy-2-phenoxy-butyl)phenyl]-2-methyl-butan-1-one CAS Name: 1-[4-(3,4-dihydroxy-2-phenoxybutyl)phenyl]-2-methyl-1-butanone IUPAC Name: 1-[4-(3,4-dihydroxy-2-phenoxybutyl)phenyl]-2-methylbutan-1-one Traditional Name: 1-[4-(3,4-dihydroxy-2-phenoxy-butyl)phenyl]-2-methyl-butan-1-one Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=CC=C(C=C1)CC(C(CO)O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(=O)C1=CC=C(C=C1)CC(C(CO)O)OC2=CC=CC=C2

InChI

InChI=1S/C21H26O4/c1-3-15(2)21(24)17-11-9-16(10-12-17)13-20(19(23)14-22)25-18-7-5-4-6-8-18/h4-12,15,19-20,22-23H,3,13-14H2,1-2H3