5-(1,3-benzodioxol-5-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-(1,3-benzodioxol-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C16H16O5/c1-2-11(17)16-12(18)5-10(6-13(16)19)9-3-4-14-15(7-9)21-8-20-14/h3-4,7,10,17H,2,5-6,8H2,1H3