barium(2+); 2-methyl-4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: barium(2+); 2-methyl-4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: barium(2+); 2-methyl-4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: barium(2+); 2-methyl-4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: barium(2+); 2-methyl-4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: barium(2+); 4-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]-2-methyl-besylate Formula: C34H26BaN4O8S2 MolecularWeight: 820.04924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-].CC1=C(C=CC(=C1)NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

CC1=C(C=CC(=C1)N/N=C/2\C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-].CC1=C(C=CC(=C1)N/N=C/2\C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C17H14N2O4S.Ba/c2*1-11-10-13(7-9-16(11)24(21,22)23)18-19-17-14-5-3-2-4-12(14)6-8-15(17)20;/h2*2-10,18H,1H3,(H,21,22,23);/q;;+2/p-2/b2*19-17+;