cyclopentane; 2-diphenylphosphanylethyl(diphenyl)phosphane; methyl 3-phenylhexa-2,5-dienoate; molybdenum(3+); bromide

Systemtic Name: cyclopentane; 2-diphenylphosphanylethyl(diphenyl)phosphane; methyl 3-phenylhexa-2,5-dienoate; molybdenum(3+); bromide Openeye Name: cyclopentane; 2-diphenylphosphanylethyl(diphenyl)phosphane; methyl 3-phenylhexa-2,5-dienoate; molybdenum(3+); bromide CAS Name: cyclopentane; 2-diphenylphosphinoethyl(diphenyl)phosphine; molybdenum(3+); 3-phenylhexa-2,5-dienoic acid methyl ester; bromide IUPAC Name: cyclopentane; 2-diphenylphosphanylethyl(diphenyl)phosphane; methyl 3-phenylhexa-2,5-dienoate; molybdenum(3+); bromide Traditional Name: cyclopentane; 2-diphenylphosphinoethyl(diphenyl)phosphine; molybdenum(3+); 3-phenylhexa-2,5-dienoic acid methyl ester; bromide Formula: C44H42BrMoO2P2+ MolecularWeight: 840.594602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[C-]=C(CC=C)C1=CC=CC=C1.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Br-].[Mo+3]

Isomeric SMILES

COC(=O)[C-]=C(CC=C)C1=CC=CC=C1.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Br-].[Mo+3]

InChI

InChI=1S/C26H24P2.C13H13O2.C5H5.BrH.Mo/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-12(10-13(14)15-2)11-8-5-4-6-9-11;1-2-4-5-3-1;;/h1-20H,21-22H2;3-6,8-9H,1,7H2,2H3;1-5H;1H;/q;-1;;;+3/p-1