2H-isoquinoline-1,4a-dicarboxylic acid

Systemtic Name: 2H-isoquinoline-1,4a-dicarboxylic acid Openeye Name: 2H-isoquinoline-1,4a-dicarboxylic acid CAS Name: 2H-isoquinoline-1,4a-dicarboxylic acid IUPAC Name: 2H-isoquinoline-1,4a-dicarboxylic acid Traditional Name: 2H-isoquinoline-1,4a-dicarboxylic acid Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC=CC2(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(NC=CC2(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C11H9NO4/c13-9(14)8-7-3-1-2-4-11(7,10(15)16)5-6-12-8/h1-6,12H,(H,13,14)(H,15,16)