(2-cycloheptylphenyl)-di(propan-2-yl)phosphane; ethynylbenzene; molybdenum(2+); tetraphenylboranuide

Systemtic Name: (2-cycloheptylphenyl)-di(propan-2-yl)phosphane; ethynylbenzene; molybdenum(2+); tetraphenylboranuide Openeye Name: (2-cycloheptylphenyl)-diisopropyl-phosphane; ethynylbenzene; molybdenum(2+); tetraphenylboranuide CAS Name: (2-cycloheptylphenyl)-di(propan-2-yl)phosphine; ethynylbenzene; molybdenum(2+); tetraphenylboranuide IUPAC Name: (2-cycloheptylphenyl)-di(propan-2-yl)phosphane; ethynylbenzene; molybdenum(2+); tetraphenylboranuide Traditional Name: (2-cycloheptylphenyl)-diisopropyl-phosphine; ethynylbenzene; molybdenum(2+); tetraphenylboranuide Formula: C51H50BMoP+ MolecularWeight: 800.667461

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)P(C1=CC=CC=C1[C]2[CH][CH][CH][CH][CH][CH]2)C(C)C.C#CC1=CC=CC=C1.[Mo+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)P(C1=CC=CC=C1[C]2[CH][CH][CH][CH][CH][CH]2)C(C)C.C#CC1=CC=CC=C1.[Mo+2]

InChI

InChI=1S/C24H20B.C19H24P.C8H6.Mo/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-15(2)20(16(3)4)19-14-10-9-13-18(19)17-11-7-5-6-8-12-17;1-2-8-6-4-3-5-7-8;/h1-20H;5-16H,1-4H3;1,3-7H;/q-1;;;+2