(E)-1-(1-adamantyl)-4-[3,4-bis(oxidanyl)phenyl]but-3-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-4-[3,4-bis(oxidanyl)phenyl]but-3-en-1-one Openeye Name: (E)-1-(1-adamantyl)-4-(3,4-dihydroxyphenyl)but-3-en-1-one CAS Name: (E)-1-(1-adamantyl)-4-(3,4-dihydroxyphenyl)-3-buten-1-one IUPAC Name: (E)-1-(1-adamantyl)-4-(3,4-dihydroxyphenyl)but-3-en-1-one Traditional Name: (E)-1-(1-adamantyl)-4-(3,4-dihydroxyphenyl)but-3-en-1-one Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O3/c21-17-5-4-13(9-18(17)22)2-1-3-19(23)20-10-14-6-15(11-20)8-16(7-14)12-20/h1-2,4-5,9,14-16,21-22H,3,6-8,10-12H2/b2-1+