1-(1-adamantyl)-4-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-butan-1-one

Systemtic Name: 1-(1-adamantyl)-4-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-butan-1-one Openeye Name: 1-(1-adamantyl)-4-(3,4-dihydroxyphenyl)-3-hydroxy-butan-1-one CAS Name: 1-(1-adamantyl)-4-(3,4-dihydroxyphenyl)-3-hydroxy-1-butanone IUPAC Name: 1-(1-adamantyl)-4-(3,4-dihydroxyphenyl)-3-hydroxybutan-1-one Traditional Name: 1-(1-adamantyl)-4-(3,4-dihydroxyphenyl)-3-hydroxy-butan-1-one Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CC(CC4=CC(=C(C=C4)O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CC(CC4=CC(=C(C=C4)O)O)O

InChI

InChI=1S/C20H26O4/c21-16(6-12-1-2-17(22)18(23)7-12)8-19(24)20-9-13-3-14(10-20)5-15(4-13)11-20/h1-2,7,13-16,21-23H,3-6,8-11H2