barium(2+); 2-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

Systemtic Name: barium(2+); 2-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Openeye Name: barium(2+); 2-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate CAS Name: barium(2+); 2-[(2-oxido-1-naphthalenyl)azo]-1-naphthalenesulfonate IUPAC Name: barium(2+); 2-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Traditional Name: barium(2+); 2-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate Formula: C20H12BaN2O4S MolecularWeight: 513.71228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])[O-].[Ba+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])[O-].[Ba+2]

InChI

InChI=1S/C20H14N2O4S.Ba/c23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+2/p-2