methyl 5-oxaldehydoyl-2-oxidanyl-benzoate hydrate

Systemtic Name: methyl 5-oxaldehydoyl-2-oxidanyl-benzoate hydrate Openeye Name: methyl 2-hydroxy-5-oxaldehydoyl-benzoate hydrate CAS Name: 2-hydroxy-5-oxaldehydoylbenzoic acid methyl ester hydrate IUPAC Name: methyl 2-hydroxy-5-oxaldehydoylbenzoate hydrate Traditional Name: 5-glyoxyloyl-2-hydroxy-benzoic acid methyl ester hydrate Formula: C10H10O6 MolecularWeight: 226.1828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=O)C=O)O.O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=O)C=O)O.O

InChI

InChI=1S/C10H8O5.H2O/c1-15-10(14)7-4-6(9(13)5-11)2-3-8(7)12;/h2-5,12H,1H3;1H2