3,4-bis[bis(phenylmethoxy)phosphoryl]-2,5-dimethyl-benzoic acid

Systemtic Name: 3,4-bis[bis(phenylmethoxy)phosphoryl]-2,5-dimethyl-benzoic acid Openeye Name: 3,4-bis(dibenzyloxyphosphoryl)-2,5-dimethyl-benzoic acid CAS Name: 3,4-bis[bis(phenylmethoxy)phosphoryl]-2,5-dimethylbenzoic acid IUPAC Name: 3,4-bis[bis(phenylmethoxy)phosphoryl]-2,5-dimethylbenzoic acid Traditional Name: 3,4-bis(dibenzoxyphosphoryl)-2,5-dimethyl-benzoic acid Formula: C37H36O8P2 MolecularWeight: 670.624462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)C)P(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)P(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)C)P(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)P(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C37H36O8P2/c1-28-23-34(37(38)39)29(2)36(47(41,44-26-32-19-11-5-12-20-32)45-27-33-21-13-6-14-22-33)35(28)46(40,42-24-30-15-7-3-8-16-30)43-25-31-17-9-4-10-18-31/h3-23H,24-27H2,1-2H3,(H,38,39)