cyclohexa-2,5-diene-1,4-dione; ethane; methylbenzene; benzoate

Systemtic Name: cyclohexa-2,5-diene-1,4-dione; ethane; methylbenzene; benzoate Openeye Name: 1,4-benzoquinone; ethane; toluene; benzoate CAS Name: cyclohexa-2,5-diene-1,4-dione; ethane; toluene; benzoate IUPAC Name: cyclohexa-2,5-diene-1,4-dione; ethane; toluene; benzoate Traditional Name: ethane; p-benzoquinone; toluene; benzoate Formula: C22H23O4- MolecularWeight: 351.41562

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)[O-].C1=CC(=O)C=CC1=O

Isomeric SMILES

CC.CC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)[O-].C1=CC(=O)C=CC1=O

InChI

InChI=1S/C7H6O2.C7H8.C6H4O2.C2H6/c8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5;1-2/h1-5H,(H,8,9);2-6H,1H3;1-4H;1-2H3/p-1