trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 3-ethynylthiophene; gold(1+)

Systemtic Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 3-ethynylthiophene; gold(1+) Openeye Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 3-ethynylthiophene; gold(1+) CAS Name: trisodium; 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate; 3-ethynylthiophene; gold(1+) IUPAC Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 3-ethynylthiophene; gold(1+) Traditional Name: trisodium; 3-bis(3-sulfonatophenyl)phosphinobesylate; 3-ethynylthiophene; gold(1+) Formula: C24H15AuNa3O9PS4 MolecularWeight: 872.540121

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CSC=C1.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-].[Na+].[Na+].[Na+].[Au+]

Isomeric SMILES

[C-]#CC1=CSC=C1.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-].[Na+].[Na+].[Na+].[Au+]

InChI

InChI=1S/C18H15O9PS3.C6H3S.Au.3Na/c19-29(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;1-2-6-3-4-7-5-6;;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);3-5H;;;;/q;-1;4*+1/p-3