4-methylbenzenesulfonate; palladium(2+); prop-1-ene; tricyclohexylphosphane

Systemtic Name: 4-methylbenzenesulfonate; palladium(2+); prop-1-ene; tricyclohexylphosphane Openeye Name: 4-methylbenzenesulfonate; palladium(2+); prop-1-ene; tricyclohexylphosphane CAS Name: 4-methylbenzenesulfonate; palladium(2+); 1-propene; tricyclohexylphosphine IUPAC Name: 4-methylbenzenesulfonate; palladium(2+); prop-1-ene; tricyclohexylphosphane Traditional Name: palladium(2+); prop-1-ene; tricyclohexylphosphine; tosylate Formula: C28H45O3PPdS MolecularWeight: 599.113861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].[CH2-]C=C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.[Pd+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].[CH2-]C=C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.[Pd+2]

InChI

InChI=1S/C18H33P.C7H8O3S.C3H5.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-2-4-7(5-3-6)11(8,9)10;1-3-2;/h16-18H,1-15H2;2-5H,1H3,(H,8,9,10);3H,1-2H2;/q;;-1;+2/p-1