disodium 2-(1H-indol-3-ylmethyl)-2-oxidanyl-4-oxidanylidene-pentanedioate

Systemtic Name: disodium 2-(1H-indol-3-ylmethyl)-2-oxidanyl-4-oxidanylidene-pentanedioate Openeye Name: disodium 2-hydroxy-2-(1H-indol-3-ylmethyl)-4-oxo-pentanedioate CAS Name: disodium 2-hydroxy-2-(1H-indol-3-ylmethyl)-4-oxopentanedioate IUPAC Name: disodium 2-hydroxy-2-(1H-indol-3-ylmethyl)-4-oxopentanedioate Traditional Name: disodium 2-hydroxy-2-(1H-indol-3-ylmethyl)-4-keto-glutarate Formula: C14H11NNa2O6 MolecularWeight: 335.21978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(CC(=O)C(=O)[O-])(C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(CC(=O)C(=O)[O-])(C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C14H13NO6.2Na/c16-11(12(17)18)6-14(21,13(19)20)5-8-7-15-10-4-2-1-3-9(8)10;;/h1-4,7,15,21H,5-6H2,(H,17,18)(H,19,20);;/q;2*+1/p-2