1,3-bis(tert-butylsulfanylmethyl)benzene-2-ide; palladium(2+); sulfate; dihydrate

Systemtic Name: 1,3-bis(tert-butylsulfanylmethyl)benzene-2-ide; palladium(2+); sulfate; dihydrate Openeye Name: 1,3-bis(tert-butylsulfanylmethyl)benzene-2-ide; palladium(2+); sulfate; dihydrate CAS Name: 1,3-bis[(tert-butylthio)methyl]benzene-2-ide; palladium(2+); sulfate; dihydrate IUPAC Name: 1,3-bis(tert-butylsulfanylmethyl)benzene-2-ide; palladium(2+); sulfate; dihydrate Traditional Name: 1,3-bis[(tert-butylthio)methyl]benzene-2-ide; palladium(2+); sulfate; dihydrate Formula: C32H54O6Pd2S5 MolecularWeight: 907.93256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=[C-]C(=CC=C1)CSC(C)(C)C.CC(C)(C)SCC1=[C-]C(=CC=C1)CSC(C)(C)C.O.O.[O-]S(=O)(=O)[O-].[Pd+2].[Pd+2]

Isomeric SMILES

CC(C)(C)SCC1=[C-]C(=CC=C1)CSC(C)(C)C.CC(C)(C)SCC1=[C-]C(=CC=C1)CSC(C)(C)C.O.O.[O-]S(=O)(=O)[O-].[Pd+2].[Pd+2]

InChI

InChI=1S/2C16H25S2.H2O4S.2H2O.2Pd/c2*1-15(2,3)17-11-13-8-7-9-14(10-13)12-18-16(4,5)6;1-5(2,3)4;;;;/h2*7-9H,11-12H2,1-6H3;(H2,1,2,3,4);2*1H2;;/q2*-1;;;;2*+2/p-2