(2-tert-butylsulfanylcyclopentyl)-diphenyl-phosphane; cobalt; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene

Systemtic Name: (2-tert-butylsulfanylcyclopentyl)-diphenyl-phosphane; cobalt; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene Openeye Name: (2-tert-butylsulfanylcyclopentyl)-diphenyl-phosphane; cobalt; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene CAS Name: [2-(tert-butylthio)cyclopentyl]-diphenylphosphine; cobalt; (2,3,4-triphenyl-1-cyclobuta-1,3-dienyl)benzene IUPAC Name: (2-tert-butylsulfanylcyclopentyl)-diphenylphosphane; cobalt; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene Traditional Name: [2-(tert-butylthio)cyclopentyl]-diphenyl-phosphine; cobalt; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene Formula: C49H42CoPS MolecularWeight: 752.829741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S[C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C2=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Co]

Isomeric SMILES

CC(C)(C)S[C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C2=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Co]

InChI

InChI=1S/C28H20.C21H22PS.Co/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;1-21(2,3)23-20-16-10-15-19(20)22(17-11-6-4-7-12-17)18-13-8-5-9-14-18;/h1-20H;4-16H,1-3H3;