3-(phenylmethyl)-1,5-benzodioxepine-2,4-dione

Systemtic Name: 3-(phenylmethyl)-1,5-benzodioxepine-2,4-dione Openeye Name: 3-benzyl-1,5-benzodioxepine-2,4-dione CAS Name: 3-(phenylmethyl)-1,5-benzodioxepin-2,4-dione IUPAC Name: 3-benzyl-1,5-benzodioxepine-2,4-dione Traditional Name: 3-benzyl-1,5-benzodioxepin-2,4-quinone Formula: C16H12O4 MolecularWeight: 268.26408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)OC3=CC=CC=C3OC2=O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)OC3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H12O4/c17-15-12(10-11-6-2-1-3-7-11)16(18)20-14-9-5-4-8-13(14)19-15/h1-9,12H,10H2