3-butyl-4-ethoxy-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-butyl-4-ethoxy-cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-butyl-4-ethoxy-1,2-benzoquinone CAS Name: 3-butyl-4-ethoxycyclohexa-3,5-diene-1,2-dione IUPAC Name: 3-butyl-4-ethoxycyclohexa-3,5-diene-1,2-dione Traditional Name: 3-butyl-4-ethoxy-o-benzoquinone Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=O)C1=O)OCC

Isomeric SMILES

CCCCC1=C(C=CC(=O)C1=O)OCC

InChI

InChI=1S/C12H16O3/c1-3-5-6-9-11(15-4-2)8-7-10(13)12(9)14/h7-8H,3-6H2,1-2H3