(3R,4S)-3-(2,4-dichlorophenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylate

Systemtic Name: (3R,4S)-3-(2,4-dichlorophenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylate Openeye Name: (3R,4S)-3-(2,4-dichlorophenyl)-1-oxo-isochromane-4-carboxylate CAS Name: (3R,4S)-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylate IUPAC Name: (3R,4S)-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylate Traditional Name: (3R,4S)-3-(2,4-dichlorophenyl)-1-keto-isochroman-4-carboxylate Formula: C16H9Cl2O4- MolecularWeight: 336.14626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(OC2=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@@H](OC2=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H10Cl2O4/c17-8-5-6-11(12(18)7-8)14-13(15(19)20)9-3-1-2-4-10(9)16(21)22-14/h1-7,13-14H,(H,19,20)/p-1/t13-,14-/m0/s1