sodium; cobalt(3+); (2Z)-N-(2-ethylhexyl)-2-[(2-oxidanidyl-5-sulfamoyl-phenyl)hydrazinylidene]-3-oxidanylidene-butanimidate

Systemtic Name: sodium; cobalt(3+); (2Z)-N-(2-ethylhexyl)-2-[(2-oxidanidyl-5-sulfamoyl-phenyl)hydrazinylidene]-3-oxidanylidene-butanimidate Openeye Name: cobaltic sodium (2Z)-N-(2-ethylhexyl)-2-[(2-oxido-5-sulfamoyl-phenyl)hydrazono]-3-oxo-butanimidate CAS Name: sodium; cobalt(3+); (2Z)-N-(2-ethylhexyl)-2-[(2-oxido-5-sulfamoylphenyl)hydrazinylidene]-3-oxobutanimidate IUPAC Name: sodium; cobalt(3+); (2Z)-N-(2-ethylhexyl)-2-[(2-oxido-5-sulfamoylphenyl)hydrazinylidene]-3-oxobutanimidate Traditional Name: cobaltic sodium (2Z)-N-(2-ethylhexyl)-3-keto-2-[(2-oxido-5-sulfamoyl-phenyl)hydrazono]butyrimidate Formula: C36H52CoN8NaO10S2 MolecularWeight: 902.89865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN=C(C(=NNC1=C(C=CC(=C1)S(=O)(=O)N)[O-])C(=O)C)[O-].CCCCC(CC)CN=C(C(=NNC1=C(C=CC(=C1)S(=O)(=O)N)[O-])C(=O)C)[O-].[Na+].[Co+3]

Isomeric SMILES

CCCCC(CN=C([O-])/C(=N/NC1=C(C=CC(=C1)S(=O)(=O)N)[O-])/C(=O)C)CC.CCCCC(CN=C([O-])/C(=N/NC1=C(C=CC(=C1)S(=O)(=O)N)[O-])/C(=O)C)CC.[Na+].[Co+3]

InChI

InChI=1S/2C18H28N4O5S.Co.Na/c2*1-4-6-7-13(5-2)11-20-18(25)17(12(3)23)22-21-15-10-14(28(19,26)27)8-9-16(15)24;;/h2*8-10,13,21,24H,4-7,11H2,1-3H3,(H,20,25)(H2,19,26,27);;/q;;+3;+1/p-4/b2*22-17+;;