(2-acetyloxy-5-oxaldehydoyl-phenyl)methyl ethanoate hydrate

Systemtic Name: (2-acetyloxy-5-oxaldehydoyl-phenyl)methyl ethanoate hydrate Openeye Name: (2-acetoxy-5-oxaldehydoyl-phenyl)methyl acetate hydrate CAS Name: acetic acid (2-acetyloxy-5-oxaldehydoylphenyl)methyl ester hydrate IUPAC Name: (2-acetyloxy-5-oxaldehydoylphenyl)methyl acetate hydrate Traditional Name: acetic acid (2-acetoxy-5-glyoxyloyl-benzyl) ester hydrate Formula: C13H14O7 MolecularWeight: 282.24606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1)C(=O)C=O)OC(=O)C.O

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1)C(=O)C=O)OC(=O)C.O

InChI

InChI=1S/C13H12O6.H2O/c1-8(15)18-7-11-5-10(12(17)6-14)3-4-13(11)19-9(2)16;/h3-6H,7H2,1-2H3;1H2