4-[(4-sulfophenyl)-[4-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid

Systemtic Name: 4-[(4-sulfophenyl)-[4-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid Openeye Name: 4-[(4-sulfophenyl)-[4-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid CAS Name: 4-[(4-sulfophenyl)-[4-(trioxidanylthio)phenyl]phosphino]benzenesulfonic acid IUPAC Name: 4-[(4-sulfophenyl)-[4-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid Traditional Name: 4-[(4-sulfophenyl)-[4-(trioxidanylthio)phenyl]phosphino]besylic acid Formula: C18H15O9PS3 MolecularWeight: 502.475061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O)SOOO

Isomeric SMILES

C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O)SOOO

InChI

InChI=1S/C18H15O9PS3/c19-26-27-29-16-7-1-13(2-8-16)28(14-3-9-17(10-4-14)30(20,21)22)15-5-11-18(12-6-15)31(23,24)25/h1-12,19H,(H,20,21,22)(H,23,24,25)