sodium 3-bis(4-tert-butylphenyl)phosphanylbenzenesulfonate

Systemtic Name: sodium 3-bis(4-tert-butylphenyl)phosphanylbenzenesulfonate Openeye Name: sodium 3-bis(4-tert-butylphenyl)phosphanylbenzenesulfonate CAS Name: sodium 3-bis(4-tert-butylphenyl)phosphinobenzenesulfonate IUPAC Name: sodium 3-bis(4-tert-butylphenyl)phosphanylbenzenesulfonate Traditional Name: sodium 3-bis(4-tert-butylphenyl)phosphinobesylate Formula: C26H30NaO3PS MolecularWeight: 476.543131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)P(C2=CC=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)P(C2=CC=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H31O3PS.Na/c1-25(2,3)19-10-14-21(15-11-19)30(22-16-12-20(13-17-22)26(4,5)6)23-8-7-9-24(18-23)31(27,28)29;/h7-18H,1-6H3,(H,27,28,29);/q;+1/p-1