5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C17H18O5 MolecularWeight: 302.32182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C17H18O5/c1-2-12(18)17-13(19)7-11(8-14(17)20)10-3-4-15-16(9-10)22-6-5-21-15/h3-4,9,11,18H,2,5-8H2,1H3