cobalt; (4Z)-3-oxidanylidene-4-(phenylazanylmethylidene)cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: cobalt; (4Z)-3-oxidanylidene-4-(phenylazanylmethylidene)cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (4Z)-4-(anilinomethylene)-3-oxo-cyclohexa-1,5-diene-1-sulfonic acid; cobalt CAS Name: (4Z)-4-(anilinomethylidene)-3-oxo-1-cyclohexa-1,5-dienesulfonic acid; cobalt IUPAC Name: (4Z)-4-(anilinomethylidene)-3-oxocyclohexa-1,5-diene-1-sulfonic acid; cobalt Traditional Name: (4Z)-4-(anilinomethylene)-3-keto-cyclohexa-1,5-diene-1-sulfonic acid; cobalt Formula: C26H22CoN2O8S2 MolecularWeight: 613.52468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=C2C=CC(=CC2=O)S(=O)(=O)O.C1=CC=C(C=C1)NC=C2C=CC(=CC2=O)S(=O)(=O)O.[Co]

Isomeric SMILES

C1=CC=C(C=C1)N/C=C/2\C(=O)C=C(C=C2)S(=O)(=O)O.C1=CC=C(C=C1)N/C=C/2\C(=O)C=C(C=C2)S(=O)(=O)O.[Co]

InChI

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