(phenylmethyl) 3-[bis[4-(phenylsulfonyl)phenoxy]phosphorylmethyl]benzoate

Systemtic Name: (phenylmethyl) 3-[bis[4-(phenylsulfonyl)phenoxy]phosphorylmethyl]benzoate Openeye Name: benzyl 3-[bis[4-(benzenesulfonyl)phenoxy]phosphorylmethyl]benzoate CAS Name: 3-[bis[4-(benzenesulfonyl)phenoxy]phosphorylmethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[bis[4-(benzenesulfonyl)phenoxy]phosphorylmethyl]benzoate Traditional Name: 3-[bis(4-besylphenoxy)phosphorylmethyl]benzoic acid benzyl ester Formula: C39H31O9PS2 MolecularWeight: 738.761801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)CP(=O)(OC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)OC5=CC=C(C=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)CP(=O)(OC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)OC5=CC=C(C=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C39H31O9PS2/c40-39(46-28-30-11-4-1-5-12-30)32-14-10-13-31(27-32)29-49(41,47-33-19-23-37(24-20-33)50(42,43)35-15-6-2-7-16-35)48-34-21-25-38(26-22-34)51(44,45)36-17-8-3-9-18-36/h1-27H,28-29H2