1-(3-oxidanidyl-3-oxidanylidene-propyl)-3,4-dihydroisochromene-1-carboxylate

Systemtic Name: 1-(3-oxidanidyl-3-oxidanylidene-propyl)-3,4-dihydroisochromene-1-carboxylate Openeye Name: 1-(3-oxido-3-oxo-propyl)isochromane-1-carboxylate CAS Name: 1-(3-oxido-3-oxopropyl)-3,4-dihydro-1H-2-benzopyran-1-carboxylate IUPAC Name: 1-(3-oxido-3-oxopropyl)-3,4-dihydroisochromene-1-carboxylate Traditional Name: 1-(3-keto-3-oxido-propyl)isochroman-1-carboxylate Formula: C13H12O5-2 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COC(C2=CC=CC=C21)(CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H14O5/c14-11(15)5-7-13(12(16)17)10-4-2-1-3-9(10)6-8-18-13/h1-4H,5-8H2,(H,14,15)(H,16,17)/p-2