3-[(3-sulfophenyl)-[3-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid

Systemtic Name: 3-[(3-sulfophenyl)-[3-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid Openeye Name: 3-[(3-sulfophenyl)-[3-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid CAS Name: 3-[(3-sulfophenyl)-[3-(trioxidanylthio)phenyl]phosphino]benzenesulfonic acid IUPAC Name: 3-[(3-sulfophenyl)-[3-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid Traditional Name: 3-[(3-sulfophenyl)-[3-(trioxidanylthio)phenyl]phosphino]besylic acid Formula: C18H15O9PS3 MolecularWeight: 502.475061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SOOO)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SOOO)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

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