1-ethynyl-4-nitro-benzene; gold(1+); tricyclohexylphosphanium

Systemtic Name: 1-ethynyl-4-nitro-benzene; gold(1+); tricyclohexylphosphanium Openeye Name: 1-ethynyl-4-nitro-benzene; gold(1+); tricyclohexylphosphonium CAS Name: 1-ethynyl-4-nitrobenzene; gold(1+); tricyclohexylphosphonium IUPAC Name: 1-ethynyl-4-nitrobenzene; gold(1+); tricyclohexylphosphanium Traditional Name: 1-ethynyl-4-nitro-benzene; gold(1+); tricyclohexylphosphonium Formula: C26H38AuNO2P+ MolecularWeight: 624.525731

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=C(C=C1)[N+](=O)[O-].C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.[Au+]

Isomeric SMILES

[C-]#CC1=CC=C(C=C1)[N+](=O)[O-].C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.[Au+]

InChI

InChI=1S/C18H33P.C8H4NO2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-3-5-8(6-4-7)9(10)11;/h16-18H,1-15H2;3-6H;/q;-1;+1/p+1