5-(1,3-benzodioxol-4-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(1,3-benzodioxol-4-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-(1,3-benzodioxol-4-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-(1,3-benzodioxol-4-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-(1,3-benzodioxol-4-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-(1,3-benzodioxol-4-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C3C(=CC=C2)OCO3)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C3C(=CC=C2)OCO3)O

InChI

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