3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; 3-[propyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid

Systemtic Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; 3-[propyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid Openeye Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; 3-[propyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid CAS Name: 3-bis(3-sulfophenyl)phosphinobenzenesulfonic acid; 3-[propyl-(3-sulfophenyl)phosphino]benzenesulfonic acid IUPAC Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; 3-[propyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid Traditional Name: 3-bis(3-sulfophenyl)phosphinobesylic acid; 3-[propyl-(3-sulfophenyl)phosphino]besylic acid Formula: C33H32O15P2S5 MolecularWeight: 890.870702

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Descriptors Computed from Structure

Canonical SMILES:

CCCP(C1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=CC=C2)S(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCP(C1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=CC=C2)S(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C18H15O9PS3.C15H17O6PS2/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;1-2-9-22(12-5-3-7-14(10-12)23(16,17)18)13-6-4-8-15(11-13)24(19,20)21/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);3-8,10-11H,2,9H2,1H3,(H,16,17,18)(H,19,20,21)