nonasodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate nonahydrate

Systemtic Name: nonasodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate nonahydrate Openeye Name: nonasodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate nonahydrate CAS Name: nonasodium 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate nonahydrate IUPAC Name: nonasodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate nonahydrate Traditional Name: nonasodium 3-bis(3-sulfonatophenyl)phosphinobesylate nonahydrate Formula: C54H54Na9O36P3S9 MolecularWeight: 1867.399173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C18H15O9PS3.9Na.9H2O/c3*19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;;;;;;;;;;;;;;;;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;;;;;;;;9*1H2/q;;;9*+1;;;;;;;;;/p-9