3-bis(2-methoxyphenyl)phosphanylpropyl-bis(2-methoxyphenyl)phosphane; 4-methylbenzenesulfonate; palladium(2+); ethanoate

Systemtic Name: 3-bis(2-methoxyphenyl)phosphanylpropyl-bis(2-methoxyphenyl)phosphane; 4-methylbenzenesulfonate; palladium(2+); ethanoate Openeye Name: 3-bis(2-methoxyphenyl)phosphanylpropyl-bis(2-methoxyphenyl)phosphane; 4-methylbenzenesulfonate; palladium(2+); acetate CAS Name: 3-bis(2-methoxyphenyl)phosphinopropyl-bis(2-methoxyphenyl)phosphine; 4-methylbenzenesulfonate; palladium(2+); acetate IUPAC Name: 3-bis(2-methoxyphenyl)phosphanylpropyl-bis(2-methoxyphenyl)phosphane; 4-methylbenzenesulfonate; palladium(2+); acetate Traditional Name: 3-bis(2-methoxyphenyl)phosphinopropyl-bis(2-methoxyphenyl)phosphine; palladium(2+); acetate; tosylate Formula: C40H44O9P2PdS MolecularWeight: 869.204482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)[O-].COC1=CC=CC=C1P(CCCP(C2=CC=CC=C2OC)C3=CC=CC=C3OC)C4=CC=CC=C4OC.[Pd+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)[O-].COC1=CC=CC=C1P(CCCP(C2=CC=CC=C2OC)C3=CC=CC=C3OC)C4=CC=CC=C4OC.[Pd+2]

InChI

InChI=1S/C31H34O4P2.C7H8O3S.C2H4O2.Pd/c1-32-24-14-5-9-18-28(24)36(29-19-10-6-15-25(29)33-2)22-13-23-37(30-20-11-7-16-26(30)34-3)31-21-12-8-17-27(31)35-4;1-6-2-4-7(5-3-6)11(8,9)10;1-2(3)4;/h5-12,14-21H,13,22-23H2,1-4H3;2-5H,1H3,(H,8,9,10);1H3,(H,3,4);/q;;;+2/p-2