barium(2+); 3-[(2Z)-2-(1-oxidanylidenenaphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate

Systemtic Name: barium(2+); 3-[(2Z)-2-(1-oxidanylidenenaphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate Openeye Name: barium(2+); 3-[(2Z)-2-(1-oxo-2-naphthylidene)hydrazino]naphthalene-1,5-disulfonate CAS Name: barium(2+); 3-[(2Z)-2-(1-oxo-2-naphthalenylidene)hydrazinyl]naphthalene-1,5-disulfonate IUPAC Name: barium(2+); 3-[(2Z)-2-(1-oxonaphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate Traditional Name: barium(2+); 3-[(N'Z)-N'-(1-keto-2-naphthylidene)hydrazino]naphthalene-1,5-disulfonate Formula: C20H12BaN2O7S2 MolecularWeight: 593.77548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=NNC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O.[Ba+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=C/C(=N/NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])/C2=O.[Ba+2]

InChI

InChI=1S/C20H14N2O7S2.Ba/c23-20-14-5-2-1-4-12(14)8-9-17(20)22-21-13-10-16-15(19(11-13)31(27,28)29)6-3-7-18(16)30(24,25)26;/h1-11,21H,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b22-17-;