carbanide; 1-ethynyl-4-methyl-benzene; platinum(2+); triphenylphosphane

Systemtic Name: carbanide; 1-ethynyl-4-methyl-benzene; platinum(2+); triphenylphosphane Openeye Name: carbanide; 1-ethynyl-4-methyl-benzene; platinum(2+); triphenylphosphane CAS Name: carbanide; 1-ethynyl-4-methylbenzene; platinum(2+); triphenylphosphine IUPAC Name: carbanide; 1-ethynyl-4-methylbenzene; platinum(2+); triphenylphosphane Traditional Name: carbanide; 1-ethynyl-4-methyl-benzene; platinum(2+); triphenylphosphine Formula: C46H40P2Pt MolecularWeight: 849.835322

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC1=CC=C(C=C1)C#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pt+2]

Isomeric SMILES

[CH3-].CC1=CC=C(C=C1)C#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pt+2]

InChI

InChI=1S/2C18H15P.C9H7.CH3.Pt/c2*1-4-10-16(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;;/h2*1-15H;4-7H,2H3;1H3;/q;;2*-1;+2