2-[3-(2,2-dipropyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[3-(2,2-dipropyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[3-(2,2-dipropyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[3-(2,2-dipropyl-1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[3-(2,2-dipropyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[3-(2,2-dipropyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(OC2=C(O1)C=C(C=C2)CCC(=O)C3C(=O)CC(CC3=O)C4=CC=CC=C4)CCC

Isomeric SMILES

CCCC1(OC2=C(O1)C=C(C=C2)CCC(=O)C3C(=O)CC(CC3=O)C4=CC=CC=C4)CCC

InChI

InChI=1S/C28H32O5/c1-3-14-28(15-4-2)32-25-13-11-19(16-26(25)33-28)10-12-22(29)27-23(30)17-21(18-24(27)31)20-8-6-5-7-9-20/h5-9,11,13,16,21,27H,3-4,10,12,14-15,17-18H2,1-2H3