(4-chloranyl-2-methanoyl-phenyl) (3S)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (4-chloranyl-2-methanoyl-phenyl) (3S)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (4-chloro-2-formyl-phenyl) (3S)-1-oxoisochromane-3-carboxylate CAS Name: (3S)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (4-chloro-2-formylphenyl) ester IUPAC Name: (4-chloro-2-formylphenyl) (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3S)-1-ketoisochroman-3-carboxylic acid (4-chloro-2-formyl-phenyl) ester Formula: C17H11ClO5 MolecularWeight: 330.71924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)OC3=C(C=C(C=C3)Cl)C=O

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)OC3=C(C=C(C=C3)Cl)C=O

InChI

InChI=1S/C17H11ClO5/c18-12-5-6-14(11(7-12)9-19)22-17(21)15-8-10-3-1-2-4-13(10)16(20)23-15/h1-7,9,15H,8H2/t15-/m0/s1