2-(2-methylpropyl)-2-[3-oxidanylidene-6-(3-pentoxyphenyl)hexyl]cyclopentane-1,3-dione

Systemtic Name: 2-(2-methylpropyl)-2-[3-oxidanylidene-6-(3-pentoxyphenyl)hexyl]cyclopentane-1,3-dione Openeye Name: 2-isobutyl-2-[3-oxo-6-(3-pentoxyphenyl)hexyl]cyclopentane-1,3-dione CAS Name: 2-(2-methylpropyl)-2-[3-oxo-6-(3-pentoxyphenyl)hexyl]cyclopentane-1,3-dione IUPAC Name: 2-(2-methylpropyl)-2-[3-oxo-6-(3-pentoxyphenyl)hexyl]cyclopentane-1,3-dione Traditional Name: 2-[6-(3-amoxyphenyl)-3-keto-hexyl]-2-isobutyl-cyclopentane-1,3-quinone Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)CCCC(=O)CCC2(C(=O)CCC2=O)CC(C)C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)CCCC(=O)CCC2(C(=O)CCC2=O)CC(C)C

InChI

InChI=1S/C26H38O4/c1-4-5-6-17-30-23-12-8-10-21(18-23)9-7-11-22(27)15-16-26(19-20(2)3)24(28)13-14-25(26)29/h8,10,12,18,20H,4-7,9,11,13-17,19H2,1-3H3