3-[phenyl-(3-sulfophenyl)phosphoryl]benzenesulfonic acid

Systemtic Name: 3-[phenyl-(3-sulfophenyl)phosphoryl]benzenesulfonic acid Openeye Name: 3-[phenyl-(3-sulfophenyl)phosphoryl]benzenesulfonic acid CAS Name: 3-[phenyl-(3-sulfophenyl)phosphoryl]benzenesulfonic acid IUPAC Name: 3-[phenyl-(3-sulfophenyl)phosphoryl]benzenesulfonic acid Traditional Name: 3-[phenyl-(3-sulfophenyl)phosphoryl]besylic acid Formula: C18H15O7PS2 MolecularWeight: 438.411261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15O7PS2/c19-26(14-6-2-1-3-7-14,15-8-4-10-17(12-15)27(20,21)22)16-9-5-11-18(13-16)28(23,24)25/h1-13H,(H,20,21,22)(H,23,24,25)