3-[(3-sulfophenyl)-[(4-sulfophenyl)methyl]phosphanyl]benzenesulfonic acid

Systemtic Name: 3-[(3-sulfophenyl)-[(4-sulfophenyl)methyl]phosphanyl]benzenesulfonic acid Openeye Name: 3-[(3-sulfophenyl)-[(4-sulfophenyl)methyl]phosphanyl]benzenesulfonic acid CAS Name: 3-[(3-sulfophenyl)-[(4-sulfophenyl)methyl]phosphino]benzenesulfonic acid IUPAC Name: 3-[(3-sulfophenyl)-[(4-sulfophenyl)methyl]phosphanyl]benzenesulfonic acid Traditional Name: 3-[(4-sulfobenzyl)-(3-sulfophenyl)phosphino]besylic acid Formula: C19H17O9PS3 MolecularWeight: 516.501641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)P(CC2=CC=C(C=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)P(CC2=CC=C(C=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C19H17O9PS3/c20-30(21,22)17-9-7-14(8-10-17)13-29(15-3-1-5-18(11-15)31(23,24)25)16-4-2-6-19(12-16)32(26,27)28/h1-12H,13H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)