6-[(E)-but-2-enyl]-7-methyl-1,3,5-trioxepine-2,4-dione

Systemtic Name: 6-[(E)-but-2-enyl]-7-methyl-1,3,5-trioxepine-2,4-dione Openeye Name: 6-[(E)-but-2-enyl]-7-methyl-1,3,5-trioxepine-2,4-dione CAS Name: 6-[(E)-but-2-enyl]-7-methyl-1,3,5-trioxepin-2,4-dione IUPAC Name: 6-[(E)-but-2-enyl]-7-methyl-1,3,5-trioxepine-2,4-dione Traditional Name: 6-[(E)-but-2-enyl]-7-methyl-1,3,5-trioxepin-2,4-quinone Formula: C9H10O5 MolecularWeight: 198.1727

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1=C(OC(=O)OC(=O)O1)C

Isomeric SMILES

C/C=C/CC1=C(OC(=O)OC(=O)O1)C

InChI

InChI=1S/C9H10O5/c1-3-4-5-7-6(2)12-8(10)14-9(11)13-7/h3-4H,5H2,1-2H3/b4-3+