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

Systemtic Name: 3-butyl-4-propoxy-cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-butyl-4-propoxy-1,2-benzoquinone CAS Name: 3-butyl-4-propoxycyclohexa-3,5-diene-1,2-dione IUPAC Name: 3-butyl-4-propoxycyclohexa-3,5-diene-1,2-dione Traditional Name: 3-butyl-4-propoxy-o-benzoquinone Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-3-5-6-10-12(16-9-4-2)8-7-11(14)13(10)15/h7-8H,3-6,9H2,1-2H3