(3R)-7-ethyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (3R)-7-ethyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (3R)-7-ethyl-1-oxo-isochromane-3-carboxylate CAS Name: (3R)-7-ethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylate IUPAC Name: (3R)-7-ethyl-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3R)-7-ethyl-1-keto-isochroman-3-carboxylate Formula: C12H11O4- MolecularWeight: 219.21334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(CC(OC2=O)C(=O)[O-])C=C1

Isomeric SMILES

CCC1=CC2=C(C[C@@H](OC2=O)C(=O)[O-])C=C1

InChI

InChI=1S/C12H12O4/c1-2-7-3-4-8-6-10(11(13)14)16-12(15)9(8)5-7/h3-5,10H,2,6H2,1H3,(H,13,14)/p-1/t10-/m1/s1