N2,N3-bis(oxidanidyl)butane-2,3-diimine; cobalt; 4-methylbenzenesulfinate; hydrate

Systemtic Name: N2,N3-bis(oxidanidyl)butane-2,3-diimine; cobalt; 4-methylbenzenesulfinate; hydrate Openeye Name: cobalt; N2,N3-dioxidobutane-2,3-diimine; 4-methylbenzenesulfinate; hydrate CAS Name: cobalt; N2,N3-dioxidobutane-2,3-diimine; 4-methylbenzenesulfinate; hydrate IUPAC Name: cobalt; 2-N,3-N-dioxidobutane-2,3-diimine; 4-methylbenzenesulfinate; hydrate Traditional Name: cobalt; 4-methylbenzenesulfinate; (1-methyl-2-oxidoimino-propylidene)-oxido-amine; hydrate Formula: C15H21CoN4O7S-5 MolecularWeight: 460.34804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)[O-].CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.O.[Co]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[O-].CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.O.[Co]

InChI

InChI=1S/C7H8O2S.2C4H8N2O2.Co.H2O/c1-6-2-4-7(5-3-6)10(8)9;2*1-3(5-7)4(2)6-8;;/h2-5H,1H3,(H,8,9);2*7-8H,1-2H3;;1H2/p-5