2-bis(2-methoxyphenyl)phosphanyl-4-methyl-benzenesulfonate; carbanide; palladium(2+); pyridine

Systemtic Name: 2-bis(2-methoxyphenyl)phosphanyl-4-methyl-benzenesulfonate; carbanide; palladium(2+); pyridine Openeye Name: 2-bis(2-methoxyphenyl)phosphanyl-4-methyl-benzenesulfonate; carbanide; palladium(2+); pyridine CAS Name: 2-bis(2-methoxyphenyl)phosphino-4-methylbenzenesulfonate; carbanide; palladium(2+); pyridine IUPAC Name: 2-bis(2-methoxyphenyl)phosphanyl-4-methylbenzenesulfonate; carbanide; palladium(2+); pyridine Traditional Name: 2-bis(2-methoxyphenyl)phosphino-4-methyl-besylate; carbanide; palladium(2+); pyridine Formula: C27H28NO5PPdS MolecularWeight: 615.973681

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC1=CC(=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2OC)C3=CC=CC=C3OC.C1=CC=NC=C1.[Pd+2]

Isomeric SMILES

[CH3-].CC1=CC(=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2OC)C3=CC=CC=C3OC.C1=CC=NC=C1.[Pd+2]

InChI

InChI=1S/C21H21O5PS.C5H5N.CH3.Pd/c1-15-12-13-21(28(22,23)24)20(14-15)27(18-10-6-4-8-16(18)25-2)19-11-7-5-9-17(19)26-3;1-2-4-6-5-3-1;;/h4-14H,1-3H3,(H,22,23,24);1-5H;1H3;/q;;-1;+2/p-1