5-propyl-1,4-benzodioxine-2,3-dione hydrate

Systemtic Name: 5-propyl-1,4-benzodioxine-2,3-dione hydrate Openeye Name: 5-propyl-1,4-benzodioxine-2,3-dione hydrate CAS Name: 5-propyl-1,4-benzodioxin-2,3-dione hydrate IUPAC Name: 5-propyl-1,4-benzodioxine-2,3-dione hydrate Traditional Name: 5-propyl-1,4-benzodioxin-2,3-quinone hydrate Formula: C11H12O5 MolecularWeight: 224.20998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC=C1)OC(=O)C(=O)O2.O

Isomeric SMILES

CCCC1=C2C(=CC=C1)OC(=O)C(=O)O2.O

InChI

InChI=1S/C11H10O4.H2O/c1-2-4-7-5-3-6-8-9(7)15-11(13)10(12)14-8;/h3,5-6H,2,4H2,1H3;1H2