(3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: (3S)-1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylate IUPAC Name: (3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-isochroman-6-carboxylate Formula: C16H11O4- MolecularWeight: 267.25614

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1[C@H](OC(=O)C2=C1C=C(C=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H12O4/c17-15(18)11-6-7-13-12(8-11)9-14(20-16(13)19)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,17,18)/p-1/t14-/m0/s1