6-butyl-7-methylidene-1,3,5-trioxepane-2,4-dione

Systemtic Name: 6-butyl-7-methylidene-1,3,5-trioxepane-2,4-dione Openeye Name: 6-butyl-7-methylene-1,3,5-trioxepane-2,4-dione CAS Name: 6-butyl-7-methylene-1,3,5-trioxepane-2,4-dione IUPAC Name: 6-butyl-7-methylidene-1,3,5-trioxepane-2,4-dione Traditional Name: 6-butyl-7-methylene-1,3,5-trioxepane-2,4-quinone Formula: C9H12O5 MolecularWeight: 200.18858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=C)OC(=O)OC(=O)O1

Isomeric SMILES

CCCCC1C(=C)OC(=O)OC(=O)O1

InChI

InChI=1S/C9H12O5/c1-3-4-5-7-6(2)12-8(10)14-9(11)13-7/h7H,2-5H2,1H3