ethanedioic acid; isoquinoline

Systemtic Name: ethanedioic acid; isoquinoline Openeye Name: isoquinoline; oxalic acid CAS Name: isoquinoline; oxalic acid IUPAC Name: isoquinoline; oxalic acid Traditional Name: isoquinoline; oxalic acid Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC=CC2=C1.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C=NC=CC2=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C9H7N.C2H2O4/c1-2-4-9-7-10-6-5-8(9)3-1;3-1(4)2(5)6/h1-7H;(H,3,4)(H,5,6)