cyclohexa-2,5-diene-1,4-dione; pyrene

Systemtic Name: cyclohexa-2,5-diene-1,4-dione; pyrene Openeye Name: 1,4-benzoquinone; pyrene CAS Name: cyclohexa-2,5-diene-1,4-dione; pyrene IUPAC Name: cyclohexa-2,5-diene-1,4-dione; pyrene Traditional Name: p-benzoquinone; pyrene Formula: C22H14O2 MolecularWeight: 310.34536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.C1=CC(=O)C=CC1=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.C1=CC(=O)C=CC1=O

InChI

InChI=1S/C16H10.C6H4O2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;7-5-1-2-6(8)4-3-5/h1-10H;1-4H