carbon monoxide; cobalt; (2S,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-piperidin-3-ol

Systemtic Name: carbon monoxide; cobalt; (2S,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-piperidin-3-ol Openeye Name: carbon monoxide; cobalt; (2S,3R)-2-ethynyl-1-(p-tolylsulfonyl)piperidin-3-ol CAS Name: carbon monoxide; cobalt; (2S,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-3-piperidinol IUPAC Name: carbon monoxide; cobalt; (2S,3R)-2-ethynyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol Traditional Name: carbon monoxide; cobalt; (2S,3R)-2-ethynyl-1-tosyl-piperidin-3-ol Formula: C20H17Co2NO9S MolecularWeight: 565.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C#C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@@H]2C#C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

InChI

InChI=1S/C14H17NO3S.6CO.2Co/c1-3-13-14(16)5-4-10-15(13)19(17,18)12-8-6-11(2)7-9-12;6*1-2;;/h1,6-9,13-14,16H,4-5,10H2,2H3;;;;;;;;/t13-,14+;;;;;;;;/m0......../s1