3-phosphono-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1-dicarboxylic acid

Systemtic Name: 3-phosphono-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1-dicarboxylic acid Openeye Name: 3-phosphono-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1-dicarboxylic acid CAS Name: 3-phosphono-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1-dicarboxylic acid IUPAC Name: 3-phosphono-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1-dicarboxylic acid Traditional Name: 3-phosphono-2,3,4,9-tetrahydro-$b-carboline-1,1-dicarboxylic acid Formula: C13H13N2O7P MolecularWeight: 340.225281

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=C1C3=CC=CC=C3N2)(C(=O)O)C(=O)O)P(=O)(O)O

Isomeric SMILES

C1C(NC(C2=C1C3=CC=CC=C3N2)(C(=O)O)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C13H13N2O7P/c16-11(17)13(12(18)19)10-7(5-9(15-13)23(20,21)22)6-3-1-2-4-8(6)14-10/h1-4,9,14-15H,5H2,(H,16,17)(H,18,19)(H2,20,21,22)