buta-1,3-diyne; cyclopentane; oxoazanide; rhenium; triphenylphosphane

Systemtic Name: buta-1,3-diyne; cyclopentane; oxoazanide; rhenium; triphenylphosphane Openeye Name: buta-1,3-diyne; cyclopentane; nitroxyl anion; rhenium; triphenylphosphane CAS Name: buta-1,3-diyne; cyclopentane; nitroxyl anion; rhenium; triphenylphosphine IUPAC Name: buta-1,3-diyne; cyclopentane; nitroxyl anion; rhenium; triphenylphosphane Traditional Name: buta-1,3-diyne; cyclopentane; nitroxyl anion; rhenium; triphenylphosphine Formula: C27H21NOPRe-2 MolecularWeight: 592.642501

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Descriptors Computed from Structure

Canonical SMILES:

C#CC#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[N-]=O.[Re]

Isomeric SMILES

C#CC#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[N-]=O.[Re]

InChI

InChI=1S/C18H15P.C5H5.C4H.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-3-4-2;1-2;/h1-15H;1-5H;1H;;/q;;2*-1;