2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2-(2-oxidanylpropyl)cyclopentane-1,3-dione

Systemtic Name: 2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2-(2-oxidanylpropyl)cyclopentane-1,3-dione Openeye Name: 2-(2-hydroxypropyl)-2-[6-(3-methoxyphenyl)-3-oxo-hexyl]cyclopentane-1,3-dione CAS Name: 2-(2-hydroxypropyl)-2-[6-(3-methoxyphenyl)-3-oxohexyl]cyclopentane-1,3-dione IUPAC Name: 2-(2-hydroxypropyl)-2-[6-(3-methoxyphenyl)-3-oxohexyl]cyclopentane-1,3-dione Traditional Name: 2-(2-hydroxypropyl)-2-[3-keto-6-(3-methoxyphenyl)hexyl]cyclopentane-1,3-quinone Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1(C(=O)CCC1=O)CCC(=O)CCCC2=CC(=CC=C2)OC)O

Isomeric SMILES

CC(CC1(C(=O)CCC1=O)CCC(=O)CCCC2=CC(=CC=C2)OC)O

InChI

InChI=1S/C21H28O5/c1-15(22)14-21(19(24)9-10-20(21)25)12-11-17(23)7-3-5-16-6-4-8-18(13-16)26-2/h4,6,8,13,15,22H,3,5,7,9-12,14H2,1-2H3