isoquinoline-2,3,3-tricarboxylate

Systemtic Name: isoquinoline-2,3,3-tricarboxylate Openeye Name: isoquinoline-2,3,3-tricarboxylate CAS Name: isoquinoline-2,3,3-tricarboxylate IUPAC Name: isoquinoline-2,3,3-tricarboxylate Traditional Name: isoquinoline-2,3,3-tricarboxylate Formula: C12H6NO6-3 MolecularWeight: 260.17914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(N(C=C2C=C1)C(=O)[O-])(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC2=CC(N(C=C2C=C1)C(=O)[O-])(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H9NO6/c14-9(15)12(10(16)17)5-7-3-1-2-4-8(7)6-13(12)11(18)19/h1-6H,(H,14,15)(H,16,17)(H,18,19)/p-3