ethanoic acid; (2-methanidylphenyl)-bis(4-methylphenyl)phosphane; palladium

Systemtic Name: ethanoic acid; (2-methanidylphenyl)-bis(4-methylphenyl)phosphane; palladium Openeye Name: acetic acid; (2-methanidylphenyl)-bis(p-tolyl)phosphane; palladium CAS Name: acetic acid; (2-methanidylphenyl)-bis(4-methylphenyl)phosphine; palladium IUPAC Name: acetic acid; (2-methanidylphenyl)-bis(4-methylphenyl)phosphane; palladium Traditional Name: acetic acid; (2-methanidylphenyl)-bis(p-tolyl)phosphine; palladium Formula: C46H48O4P2Pd2-2 MolecularWeight: 939.658442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC=C3[CH2-].CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC=C3[CH2-].CC(=O)O.CC(=O)O.[Pd].[Pd]

Isomeric SMILES

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC=C3[CH2-].CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC=C3[CH2-].CC(=O)O.CC(=O)O.[Pd].[Pd]

InChI

InChI=1S/2C21H20P.2C2H4O2.2Pd/c2*1-16-8-12-19(13-9-16)22(20-14-10-17(2)11-15-20)21-7-5-4-6-18(21)3;2*1-2(3)4;;/h2*4-15H,3H2,1-2H3;2*1H3,(H,3,4);;/q2*-1;;;;