cobalt(3+); cyclopentane; 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene; triphenylphosphane

Systemtic Name: cobalt(3+); cyclopentane; 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene; triphenylphosphane Openeye Name: cobaltic; cyclopentane; [2,3-diphenyl-1-(phenylmethylene)allyl]benzene; triphenylphosphane CAS Name: cobalt(3+); cyclopentane; 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene; triphenylphosphine IUPAC Name: cobalt(3+); cyclopentane; 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene; triphenylphosphane Traditional Name: cobaltic; cyclopentane; [2,3-diphenyl-1-(phenylmethylene)allyl]benzene; triphenylphosphine Formula: C51H40CoP+ MolecularWeight: 742.770261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[C-]=C(C2=CC=CC=C2)C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Co+3]

Isomeric SMILES

C1=CC=C(C=C1)[C-]=C(C2=CC=CC=C2)C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Co+3]

InChI

InChI=1S/C28H20.C18H15P.C5H5.Co/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;/h1-20H;1-15H;1-5H;/q-2;;;+3