2-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-oxidanyl-indene-1,3-dione hydrate

Systemtic Name: 2-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-oxidanyl-indene-1,3-dione hydrate Openeye Name: 2-[(1E)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]-2-hydroxy-indane-1,3-dione hydrate CAS Name: 2-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-2-hydroxyindene-1,3-dione hydrate IUPAC Name: 2-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-2-hydroxyindene-1,3-dione hydrate Traditional Name: 2-[(E)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]-2-hydroxy-indane-1,3-quinone hydrate Formula: C15H16O7 MolecularWeight: 308.28334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)C1(C(=O)C2=CC=CC=C2C1=O)O)O.O

Isomeric SMILES

CCO/C(=C(/C(=O)C)\C1(C(=O)C2=CC=CC=C2C1=O)O)/O.O

InChI

InChI=1S/C15H14O6.H2O/c1-3-21-14(19)11(8(2)16)15(20)12(17)9-6-4-5-7-10(9)13(15)18;/h4-7,19-20H,3H2,1-2H3;1H2/b14-11-;