disodium 3-[cyclohexyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate

Systemtic Name: disodium 3-[cyclohexyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: disodium 3-[cyclohexyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: disodium 3-[cyclohexyl-(3-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: disodium 3-[cyclohexyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: disodium 3-[cyclohexyl-(3-sulfonatophenyl)phosphino]besylate Formula: C18H19Na2O6PS2 MolecularWeight: 472.423161

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CCC(CC1)P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H21O6PS2.2Na/c19-26(20,21)17-10-4-8-15(12-17)25(14-6-2-1-3-7-14)16-9-5-11-18(13-16)27(22,23)24;;/h4-5,8-14H,1-3,6-7H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2