[1-(4-bromophenyl)-2-[(4-bromophenyl)methyl]-4-phosphono-3,3-bis(phosphonomethyl)butan-2-yl]phosphonic acid

Systemtic Name: [1-(4-bromophenyl)-2-[(4-bromophenyl)methyl]-4-phosphono-3,3-bis(phosphonomethyl)butan-2-yl]phosphonic acid Openeye Name: [1,1-bis[(4-bromophenyl)methyl]-3-phosphono-2,2-bis(phosphonomethyl)propyl]phosphonic acid CAS Name: [1-(4-bromophenyl)-2-[(4-bromophenyl)methyl]-4-phosphono-3,3-bis(phosphonomethyl)butan-2-yl]phosphonic acid IUPAC Name: [1-(4-bromophenyl)-2-[(4-bromophenyl)methyl]-4-phosphono-3,3-bis(phosphonomethyl)butan-2-yl]phosphonic acid Traditional Name: [1,1-bis(4-bromobenzyl)-3-phosphono-2,2-bis(phosphonomethyl)propyl]phosphonic acid Formula: C19H26Br2O12P4 MolecularWeight: 730.105584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC2=CC=C(C=C2)Br)(C(CP(=O)(O)O)(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC(CC2=CC=C(C=C2)Br)(C(CP(=O)(O)O)(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O)Br

InChI

InChI=1S/C19H26Br2O12P4/c20-16-5-1-14(2-6-16)9-19(37(31,32)33,10-15-3-7-17(21)8-4-15)18(11-34(22,23)24,12-35(25,26)27)13-36(28,29)30/h1-8H,9-13H2,(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)