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

Systemtic Name: 2-butyl-3-phenyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-butyl-3-phenyl-1,4-benzoquinone CAS Name: 2-butyl-3-phenylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-butyl-3-phenylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-butyl-3-phenyl-p-benzoquinone Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C=CC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C(=O)C=CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O2/c1-2-3-9-13-14(17)10-11-15(18)16(13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3