barium(2+); (5Z)-5-[(2,3-dimethylphenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: barium(2+); (5Z)-5-[(2,3-dimethylphenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate Openeye Name: barium(2+); (5Z)-5-[(2,3-dimethylphenyl)hydrazono]-6-oxo-naphthalene-2-sulfonate CAS Name: barium(2+); (5Z)-5-[(2,3-dimethylphenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonate IUPAC Name: barium(2+); (5Z)-5-[(2,3-dimethylphenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate Traditional Name: barium(2+); (5Z)-5-[(2,3-dimethylphenyl)hydrazono]-6-keto-naphthalene-2-sulfonate Formula: C36H30BaN4O8S2 MolecularWeight: 848.1024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])C.CC1=C(C(=CC=C1)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])C.[Ba+2]

Isomeric SMILES

CC1=C(C(=CC=C1)N/N=C/2\C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])C.CC1=C(C(=CC=C1)N/N=C/2\C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])C.[Ba+2]

InChI

InChI=1S/2C18H16N2O4S.Ba/c2*1-11-4-3-5-16(12(11)2)19-20-18-15-8-7-14(25(22,23)24)10-13(15)6-9-17(18)21;/h2*3-10,19H,1-2H3,(H,22,23,24);/q;;+2/p-2/b2*20-18-;