3,8-diethyl-1,4-bis(oxidanylidene)isochromene-3-carboxylate

Systemtic Name: 3,8-diethyl-1,4-bis(oxidanylidene)isochromene-3-carboxylate Openeye Name: 3,8-diethyl-1,4-dioxo-isochromane-3-carboxylate CAS Name: 3,8-diethyl-1,4-dioxo-3,4-dihydro-1H-2-benzopyran-3-carboxylate IUPAC Name: 3,8-diethyl-1,4-dioxoisochromene-3-carboxylate Traditional Name: 3,8-diethyl-1,4-diketo-isochroman-3-carboxylate Formula: C14H13O5- MolecularWeight: 261.25002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(=O)OC(C2=O)(CC)C(=O)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1C(=O)OC(C2=O)(CC)C(=O)[O-]

InChI

InChI=1S/C14H14O5/c1-3-8-6-5-7-9-10(8)12(16)19-14(4-2,11(9)15)13(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)/p-1