1-ethynyl-4-methyl-benzene; gold(1+); triphenylphosphane

Systemtic Name: 1-ethynyl-4-methyl-benzene; gold(1+); triphenylphosphane Openeye Name: 1-ethynyl-4-methyl-benzene; gold(1+); triphenylphosphane CAS Name: 1-ethynyl-4-methylbenzene; gold(1+); triphenylphosphine IUPAC Name: 1-ethynyl-4-methylbenzene; gold(1+); triphenylphosphane Traditional Name: 1-ethynyl-4-methyl-benzene; gold(1+); triphenylphosphine Formula: C27H22AuP MolecularWeight: 574.403891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Au+]

Isomeric SMILES

CC1=CC=C(C=C1)C#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Au+]

InChI

InChI=1S/C18H15P.C9H7.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-6-4-8(2)5-7-9;/h1-15H;4-7H,2H3;/q;-1;+1