3-methoxy-4-phenethyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-methoxy-4-phenethyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-methoxy-4-phenethyl-cyclobut-3-ene-1,2-dione CAS Name: 3-methoxy-4-phenethylcyclobut-3-ene-1,2-dione IUPAC Name: 3-methoxy-4-phenethylcyclobut-3-ene-1,2-dione Traditional Name: 3-methoxy-4-phenethyl-cyclobut-3-ene-1,2-quinone Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C1=O)CCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=O)C1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H12O3/c1-16-13-10(11(14)12(13)15)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3