barium(2+); 3-chloranyl-2-methyl-6-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: barium(2+); 3-chloranyl-2-methyl-6-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: barium(2+); 3-chloro-2-methyl-6-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: barium(2+); 3-chloro-2-methyl-6-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: barium(2+); 3-chloro-2-methyl-6-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: barium(2+); 3-chloro-6-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]-2-methyl-besylate Formula: C34H24BaCl2N4O8S2 MolecularWeight: 888.93936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32)Cl.CC1=C(C=CC(=C1S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32)Cl.[Ba+2]

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=CC2=O)Cl.CC1=C(C=CC(=C1S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=CC2=O)Cl.[Ba+2]

InChI

InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-13(18)7-8-14(17(10)25(22,23)24)19-20-16-12-5-3-2-4-11(12)6-9-15(16)21;/h2*2-9,19H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-16+;