3-[tert-butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate

Systemtic Name: 3-[tert-butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: 3-[tert-butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: 3-[tert-butyl-(3-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: 3-[tert-butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: 3-[tert-butyl-(3-sulfonatophenyl)phosphino]besylate Formula: C16H17O6PS2-2 MolecularWeight: 400.406341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(C1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)P(C1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C16H19O6PS2/c1-16(2,3)23(12-6-4-8-14(10-12)24(17,18)19)13-7-5-9-15(11-13)25(20,21)22/h4-11H,1-3H3,(H,17,18,19)(H,20,21,22)/p-2