2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(4-butylphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(4-butylphenyl)cyclohexane-1,3-dione Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(4-butylphenyl)cyclohexane-1,3-dione CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-1-oxopentyl]-5-(4-butylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(4-butylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(4-butylphenyl)cyclohexane-1,3-quinone Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H32O5/c1-2-3-6-19-9-12-21(13-10-19)22-16-24(30)28(25(31)17-22)23(29)8-5-4-7-20-11-14-26-27(15-20)33-18-32-26/h9-15,22,28H,2-8,16-18H2,1H3