bis(2,3-dioctylphenoxy)phosphoryl bis(2,3-dioctylphenyl) phosphate

Systemtic Name: bis(2,3-dioctylphenoxy)phosphoryl bis(2,3-dioctylphenyl) phosphate Openeye Name: bis(2,3-dioctylphenoxy)phosphoryl bis(2,3-dioctylphenyl) phosphate CAS Name: phosphoric acid bis(2,3-dioctylphenoxy)phosphoryl bis(2,3-dioctylphenyl) ester IUPAC Name: bis(2,3-dioctylphenoxy)phosphoryl bis(2,3-dioctylphenyl) phosphate Traditional Name: phosphoric acid bis(2,3-dioctylphenoxy)phosphoryl bis(2,3-dioctylphenyl) ester Formula: C88H148O7P2 MolecularWeight: 1380.060042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC(=C2CCCCCCCC)CCCCCCCC)OP(=O)(OC3=CC=CC(=C3CCCCCCCC)CCCCCCCC)OC4=CC=CC(=C4CCCCCCCC)CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC(=C2CCCCCCCC)CCCCCCCC)OP(=O)(OC3=CC=CC(=C3CCCCCCCC)CCCCCCCC)OC4=CC=CC(=C4CCCCCCCC)CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C88H148O7P2/c1-9-17-25-33-41-49-61-77-65-57-73-85(81(77)69-53-45-37-29-21-13-5)91-96(89,92-86-74-58-66-78(62-50-42-34-26-18-10-2)82(86)70-54-46-38-30-22-14-6)95-97(90,93-87-75-59-67-79(63-51-43-35-27-19-11-3)83(87)71-55-47-39-31-23-15-7)94-88-76-60-68-80(64-52-44-36-28-20-12-4)84(88)72-56-48-40-32-24-16-8/h57-60,65-68,73-76H,9-56,61-64,69-72H2,1-8H3