sodium 3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxy-benzenesulfonate hydrate

Systemtic Name: sodium 3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxy-benzenesulfonate hydrate Openeye Name: sodium 3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxy-benzenesulfonate hydrate CAS Name: sodium 3-(2-dicyclohexylphosphinophenyl)-2,4-dimethoxybenzenesulfonate hydrate IUPAC Name: sodium 3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate hydrate Traditional Name: sodium 3-(2-dicyclohexylphosphinophenyl)-2,4-dimethoxy-besylate hydrate Formula: C26H36NaO6PS MolecularWeight: 530.588971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.O.[Na+]

Isomeric SMILES

COC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.O.[Na+]

InChI

InChI=1S/C26H35O5PS.Na.H2O/c1-30-22-17-18-24(33(27,28)29)26(31-2)25(22)21-15-9-10-16-23(21)32(19-11-5-3-6-12-19)20-13-7-4-8-14-20;;/h9-10,15-20H,3-8,11-14H2,1-2H3,(H,27,28,29);;1H2/q;+1;/p-1