disodium 3-[propan-2-yl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate

Systemtic Name: disodium 3-[propan-2-yl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: disodium 3-[isopropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: disodium 3-[propan-2-yl-(3-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: disodium 3-[propan-2-yl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: disodium 3-[isopropyl-(3-sulfonatophenyl)phosphino]besylate Formula: C15H15Na2O6PS2 MolecularWeight: 432.359301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17O6PS2.2Na/c1-11(2)22(12-5-3-7-14(9-12)23(16,17)18)13-6-4-8-15(10-13)24(19,20)21;;/h3-11H,1-2H3,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2