trisodium 4-[6-[(7-sulfonatonaphthalen-1-yl)amino]pyridazin-3-yl]oxybenzene-1,3-dicarboxylate

Systemtic Name: trisodium 4-[6-[(7-sulfonatonaphthalen-1-yl)amino]pyridazin-3-yl]oxybenzene-1,3-dicarboxylate Openeye Name: trisodium 4-[6-[(7-sulfonato-1-naphthyl)amino]pyridazin-3-yl]oxybenzene-1,3-dicarboxylate CAS Name: trisodium 4-[[6-[(7-sulfonato-1-naphthalenyl)amino]-3-pyridazinyl]oxy]benzene-1,3-dicarboxylate IUPAC Name: trisodium 4-[6-[(7-sulfonatonaphthalen-1-yl)amino]pyridazin-3-yl]oxybenzene-1,3-dicarboxylate Traditional Name: trisodium 4-[6-[(7-sulfonato-1-naphthyl)amino]pyridazin-3-yl]oxyisophthalate Formula: C22H12N3Na3O8S MolecularWeight: 547.38029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)NC3=NN=C(C=C3)OC4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)NC3=NN=C(C=C3)OC4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H15N3O8S.3Na/c26-21(27)13-5-7-18(16(10-13)22(28)29)33-20-9-8-19(24-25-20)23-17-3-1-2-12-4-6-14(11-15(12)17)34(30,31)32;;;/h1-11H,(H,23,24)(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3