sodium 2-[3-phosphanyl-2-(2-sulfophenyl)phenyl]benzenesulfonic acid

Systemtic Name: sodium 2-[3-phosphanyl-2-(2-sulfophenyl)phenyl]benzenesulfonic acid Openeye Name: sodium 2-[3-phosphanyl-2-(2-sulfophenyl)phenyl]benzenesulfonic acid CAS Name: sodium 2-[3-phosphino-2-(2-sulfophenyl)phenyl]benzenesulfonic acid IUPAC Name: sodium 2-[3-phosphanyl-2-(2-sulfophenyl)phenyl]benzenesulfonic acid Traditional Name: sodium 2-[3-phosphino-2-(2-sulfophenyl)phenyl]besylic acid Formula: C18H15NaO6PS2+ MolecularWeight: 445.401631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=CC=C2)P)C3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=CC=C2)P)C3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H15O6PS2.Na/c19-26(20,21)16-10-3-1-6-12(16)13-8-5-9-15(25)18(13)14-7-2-4-11-17(14)27(22,23)24;/h1-11H,25H2,(H,19,20,21)(H,22,23,24);/q;+1