methyl 4-oxaldehydoylbenzoate hydrate

Systemtic Name: methyl 4-oxaldehydoylbenzoate hydrate Openeye Name: methyl 4-oxaldehydoylbenzoate hydrate CAS Name: 4-oxaldehydoylbenzoic acid methyl ester hydrate IUPAC Name: methyl 4-oxaldehydoylbenzoate hydrate Traditional Name: 4-glyoxyloylbenzoic acid methyl ester hydrate Formula: C10H10O5 MolecularWeight: 210.1834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8O4.H2O/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;/h2-6H,1H3;1H2