barium(2+); (4Z)-3-oxidanylidene-4-[(1-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: barium(2+); (4Z)-3-oxidanylidene-4-[(1-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: barium(2+); (4Z)-3-oxo-4-[(1-sulfo-2-naphthyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: barium(2+); (4Z)-3-oxo-4-[(1-sulfo-2-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: barium(2+); (4Z)-3-oxo-4-[(1-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: barium(2+); (4Z)-3-keto-4-[(1-sulfo-2-naphthyl)hydrazono]naphthalene-2,7-disulfonate Formula: C20H12BaN2O10S3 MolecularWeight: 673.83868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N/N=C\3/C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/C20H14N2O10S3.Ba/c23-19-17(34(27,28)29)10-12-9-13(33(24,25)26)6-7-14(12)18(19)22-21-16-8-5-11-3-1-2-4-15(11)20(16)35(30,31)32;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+2/p-2/b22-18-;