disodium; barium(2+); N-[7-[(3-methylphenyl)diazenyl]-8-oxidanidyl-4,6-disulfonato-naphthalen-1-yl]benzenecarboximidate

Systemtic Name: disodium; barium(2+); N-[7-[(3-methylphenyl)diazenyl]-8-oxidanidyl-4,6-disulfonato-naphthalen-1-yl]benzenecarboximidate Openeye Name: disodium; barium(2+); N-[7-(m-tolylazo)-8-oxido-4,6-disulfonato-1-naphthyl]benzenecarboximidate CAS Name: disodium; barium(2+); N-[7-(3-methylphenyl)azo-8-oxido-4,6-disulfonato-1-naphthalenyl]benzenecarboximidate IUPAC Name: disodium; barium(2+); N-[7-[(3-methylphenyl)diazenyl]-8-oxido-4,6-disulfonatonaphthalen-1-yl]benzenecarboximidate Traditional Name: disodium; barium(2+); N-[7-(m-tolylazo)-8-oxido-4,6-disulfonato-1-naphthyl]benzenecarboximidate Formula: C24H15BaN3Na2O8S2 MolecularWeight: 720.82774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=NC2=C(C3=C(C=CC(=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=C(C4=CC=CC=C4)[O-])[O-].[Na+].[Na+].[Ba+2]

Isomeric SMILES

CC1=CC(=CC=C1)N=NC2=C(C3=C(C=CC(=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=C(C4=CC=CC=C4)[O-])[O-].[Na+].[Na+].[Ba+2]

InChI

InChI=1S/C24H19N3O8S2.Ba.2Na/c1-14-6-5-9-16(12-14)26-27-22-20(37(33,34)35)13-17-19(36(30,31)32)11-10-18(21(17)23(22)28)25-24(29)15-7-3-2-4-8-15;;;/h2-13,28H,1H3,(H,25,29)(H,30,31,32)(H,33,34,35);;;/q;+2;2*+1/p-4