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

Systemtic Name: disodium 3-[tert-butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: disodium 3-[tert-butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: disodium 3-[tert-butyl-(3-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: disodium 3-[tert-butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: disodium 3-[tert-butyl-(3-sulfonatophenyl)phosphino]besylate Formula: C16H17Na2O6PS2 MolecularWeight: 446.385881

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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-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H19O6PS2.2Na/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);;/q;2*+1/p-2