carbon monoxide; cobalt; 3-[2-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]phenyl]prop-2-enyl methanesulfonate

Systemtic Name: carbon monoxide; cobalt; 3-[2-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]phenyl]prop-2-enyl methanesulfonate Openeye Name: carbon monoxide; cobalt; 3-[2-[3-(p-tolylsulfonylamino)prop-1-ynyl]phenyl]allyl methanesulfonate CAS Name: carbon monoxide; cobalt; methanesulfonic acid 3-[2-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]phenyl]prop-2-enyl ester IUPAC Name: carbon monoxide; cobalt; 3-[2-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]phenyl]prop-2-enyl methanesulfonate Traditional Name: carbon monoxide; cobalt; methanesulfonic acid 3-[2-[3-(tosylamino)prop-1-ynyl]phenyl]allyl ester Formula: C26H19Co2NO11S2 MolecularWeight: 703.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CC=CC=C2[C]=[C]COS(=O)(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CC=CC=C2[C]=[C]COS(=O)(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

InChI

InChI=1S/C20H19NO5S2.6CO.2Co/c1-17-11-13-20(14-12-17)28(24,25)21-15-5-9-18-7-3-4-8-19(18)10-6-16-26-27(2,22)23;6*1-2;;/h3-4,7-8,11-14,21H,15-16H2,1-2H3;;;;;;;;