[1,3-bis(2-dodecylphenyl)-2-phosphono-propan-2-yl]phosphonic acid

Systemtic Name: [1,3-bis(2-dodecylphenyl)-2-phosphono-propan-2-yl]phosphonic acid Openeye Name: [2-(2-dodecylphenyl)-1-[(2-dodecylphenyl)methyl]-1-phosphono-ethyl]phosphonic acid CAS Name: [1,3-bis(2-dodecylphenyl)-2-phosphonopropan-2-yl]phosphonic acid IUPAC Name: [1,3-bis(2-dodecylphenyl)-2-phosphonopropan-2-yl]phosphonic acid Traditional Name: [1-(2-laurylbenzyl)-2-(2-laurylphenyl)-1-phosphono-ethyl]phosphonic acid Formula: C39H66O6P2 MolecularWeight: 692.885262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1CC(CC2=CC=CC=C2CCCCCCCCCCCC)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1CC(CC2=CC=CC=C2CCCCCCCCCCCC)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C39H66O6P2/c1-3-5-7-9-11-13-15-17-19-21-27-35-29-23-25-31-37(35)33-39(46(40,41)42,47(43,44)45)34-38-32-26-24-30-36(38)28-22-20-18-16-14-12-10-8-6-4-2/h23-26,29-32H,3-22,27-28,33-34H2,1-2H3,(H2,40,41,42)(H2,43,44,45)