trisodium 2-(3-carboxylatophenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylate

Systemtic Name: trisodium 2-(3-carboxylatophenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylate Openeye Name: trisodium 2-(3-carboxylatophenyl)-1,3-dioxo-benzo[de]isoquinoline-6,7-dicarboxylate CAS Name: trisodium 2-(3-carboxylatophenyl)-1,3-dioxobenzo[de]isoquinoline-6,7-dicarboxylate IUPAC Name: trisodium 2-(3-carboxylatophenyl)-1,3-dioxobenzo[de]isoquinoline-6,7-dicarboxylate Traditional Name: trisodium 2-(3-carboxylatophenyl)-1,3-diketo-benzo[de]isoquinoline-6,7-dicarboxylate Formula: C21H8NNa3O8 MolecularWeight: 471.25943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)C(=O)[O-])C(=O)[O-])C2=O)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)C(=O)[O-])C(=O)[O-])C2=O)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C21H11NO8.3Na/c23-17-11-4-6-13(20(27)28)16-14(21(29)30)7-5-12(15(11)16)18(24)22(17)10-3-1-2-9(8-10)19(25)26;;;/h1-8H,(H,25,26)(H,27,28)(H,29,30);;;/q;3*+1/p-3