sodium; barium(2+); (6E)-4-benzamido-6-[(3-methylphenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonate

Systemtic Name: sodium; barium(2+); (6E)-4-benzamido-6-[(3-methylphenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonate Openeye Name: sodium; barium(2+); (6E)-4-benzamido-6-(m-tolylhydrazono)-5-oxo-naphthalene-1,7-disulfonate CAS Name: sodium; barium(2+); (6E)-4-benzamido-6-[(3-methylphenyl)hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate IUPAC Name: sodium; barium(2+); (6E)-4-benzamido-6-[(3-methylphenyl)hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate Traditional Name: sodium; barium(2+); (6E)-4-benzamido-5-keto-6-(m-tolylhydrazono)naphthalene-1,7-disulfonate Formula: C24H17BaN3NaO8S2+ MolecularWeight: 699.85385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NN=C2C(=CC3=C(C=CC(=C3C2=O)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Ba+2]

Isomeric SMILES

CC1=CC(=CC=C1)N/N=C\2/C(=CC3=C(C=CC(=C3C2=O)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Ba+2]

InChI

InChI=1S/C24H19N3O8S2.Ba.Na/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;;/h2-13,26H,1H3,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;+2;+1/p-2/b27-22-;;