(3-methylbenzene-6-id-1-yl)oxy-di(propan-2-yl)phosphane; palladium(2+); sulfate; tetrahydrate

Systemtic Name: (3-methylbenzene-6-id-1-yl)oxy-di(propan-2-yl)phosphane; palladium(2+); sulfate; tetrahydrate Openeye Name: diisopropyl-(3-methylbenzene-6-id-1-yl)oxy-phosphane; palladium(2+); sulfate; tetrahydrate CAS Name: (3-methyl-1-benzene-6-idyl)oxy-di(propan-2-yl)phosphine; palladium(2+); sulfate; tetrahydrate IUPAC Name: (3-methylbenzene-6-id-1-yl)oxy-di(propan-2-yl)phosphane; palladium(2+); sulfate; tetrahydrate Traditional Name: diisopropyl-(3-methylbenzene-6-id-1-yl)oxy-phosphine; palladium(2+); sulfate; tetrahydrate Formula: C26H48O10P2Pd2S MolecularWeight: 827.505842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[C-]C(=C1)OP(C(C)C)C(C)C.CC1=CC=[C-]C(=C1)OP(C(C)C)C(C)C.O.O.O.O.[O-]S(=O)(=O)[O-].[Pd+2].[Pd+2]

Isomeric SMILES

CC1=CC=[C-]C(=C1)OP(C(C)C)C(C)C.CC1=CC=[C-]C(=C1)OP(C(C)C)C(C)C.O.O.O.O.[O-]S(=O)(=O)[O-].[Pd+2].[Pd+2]

InChI

InChI=1S/2C13H20OP.H2O4S.4H2O.2Pd/c2*1-10(2)15(11(3)4)14-13-8-6-7-12(5)9-13;1-5(2,3)4;;;;;;/h2*6-7,9-11H,1-5H3;(H2,1,2,3,4);4*1H2;;/q2*-1;;;;;;2*+2/p-2