3-[(4-tert-butylphenyl)-(3-sulfophenyl)phosphanyl]benzenesulfonic acid

Systemtic Name: 3-[(4-tert-butylphenyl)-(3-sulfophenyl)phosphanyl]benzenesulfonic acid Openeye Name: 3-[(4-tert-butylphenyl)-(3-sulfophenyl)phosphanyl]benzenesulfonic acid CAS Name: 3-[(4-tert-butylphenyl)-(3-sulfophenyl)phosphino]benzenesulfonic acid IUPAC Name: 3-[(4-tert-butylphenyl)-(3-sulfophenyl)phosphanyl]benzenesulfonic acid Traditional Name: 3-[(4-tert-butylphenyl)-(3-sulfophenyl)phosphino]besylic acid Formula: C22H23O6PS2 MolecularWeight: 478.518181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C22H23O6PS2/c1-22(2,3)16-10-12-17(13-11-16)29(18-6-4-8-20(14-18)30(23,24)25)19-7-5-9-21(15-19)31(26,27)28/h4-15H,1-3H3,(H,23,24,25)(H,26,27,28)