barium(2+); (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: barium(2+); (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: barium(2+); (4E)-4-[(2,4-dimethylphenyl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: barium(2+); (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: barium(2+); (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: barium(2+); (4E)-4-[(2,4-dimethylphenyl)hydrazono]-3-keto-naphthalene-2,7-disulfonate Formula: C18H14BaN2O7S2 MolecularWeight: 571.76996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Ba+2]

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Ba+2]

InChI

InChI=1S/C18H16N2O7S2.Ba/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2/b20-17+;