cobalt; 4-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonate

Systemtic Name: cobalt; 4-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonate Openeye Name: cobalt; 4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonate CAS Name: cobalt; 4-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzenesulfonate IUPAC Name: cobalt; 4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonate Traditional Name: cobalt; 4-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]besylate Formula: C26H20CoN2O8S2-2 MolecularWeight: 611.5088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)C=C1.C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)C=C1.[Co]

Isomeric SMILES

C1=C/C(=C/NC2=CC=C(C=C2)S(=O)(=O)[O-])/C(=O)C=C1.C1=C/C(=C/NC2=CC=C(C=C2)S(=O)(=O)[O-])/C(=O)C=C1.[Co]

InChI

InChI=1S/2C13H11NO4S.Co/c2*15-13-4-2-1-3-10(13)9-14-11-5-7-12(8-6-11)19(16,17)18;/h2*1-9,14H,(H,16,17,18);/p-2/b2*10-9-;