cobalt(3+); (Z)-3-cyano-3-methyl-1-phenyl-but-1-ene-1,2-dithiolate; cyclopentane

Systemtic Name: cobalt(3+); (Z)-3-cyano-3-methyl-1-phenyl-but-1-ene-1,2-dithiolate; cyclopentane Openeye Name: cobaltic; (Z)-3-cyano-3-methyl-1-phenyl-but-1-ene-1,2-dithiolate; cyclopentane CAS Name: cobalt(3+); (Z)-3-cyano-3-methyl-1-phenyl-1-butene-1,2-dithiolate; cyclopentane IUPAC Name: cobalt(3+); (Z)-3-cyano-3-methyl-1-phenylbut-1-ene-1,2-dithiolate; cyclopentane Traditional Name: cobaltic; (Z)-3-cyano-3-methyl-1-phenyl-but-1-ene-1,2-dithiolate; cyclopentane Formula: C17H16CoNS2+ MolecularWeight: 357.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(=C(C1=CC=CC=C1)[S-])[S-].[CH]1[CH][CH][CH][CH]1.[Co+3]

Isomeric SMILES

CC(C)(C#N)/C(=C(\C1=CC=CC=C1)/[S-])/[S-].[CH]1[CH][CH][CH][CH]1.[Co+3]

InChI

InChI=1S/C12H13NS2.C5H5.Co/c1-12(2,8-13)11(15)10(14)9-6-4-3-5-7-9;1-2-4-5-3-1;/h3-7,14-15H,1-2H3;1-5H;/q;;+3/p-2/b11-10-;;