6-[(2E,4E)-hexa-2,4-dienoyl]-4a,8-dimethyl-1,4-benzodioxine-3,7-dione

Systemtic Name: 6-[(2E,4E)-hexa-2,4-dienoyl]-4a,8-dimethyl-1,4-benzodioxine-3,7-dione Openeye Name: 6-[(2E,4E)-hexa-2,4-dienoyl]-4a,8-dimethyl-1,4-benzodioxine-3,7-dione CAS Name: 4a,8-dimethyl-6-[(2E,4E)-1-oxohexa-2,4-dienyl]-1,4-benzodioxin-3,7-dione IUPAC Name: 6-[(2E,4E)-hexa-2,4-dienoyl]-4a,8-dimethyl-1,4-benzodioxine-3,7-dione Traditional Name: 6-[(2E,4E)-hexa-2,4-dienoyl]-4a,8-dimethyl-1,4-benzodioxin-3,7-quinone Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)C1=CC2(C(=C(C1=O)C)OCC(=O)O2)C

Isomeric SMILES

C/C=C/C=C/C(=O)C1=CC2(C(=C(C1=O)C)OCC(=O)O2)C

InChI

InChI=1S/C16H16O5/c1-4-5-6-7-12(17)11-8-16(3)15(10(2)14(11)19)20-9-13(18)21-16/h4-8H,9H2,1-3H3/b5-4+,7-6+