tris(5-decylphenanthren-2-yl) phosphite

Systemtic Name: tris(5-decylphenanthren-2-yl) phosphite Openeye Name: tris(5-decyl-2-phenanthryl) phosphite CAS Name: phosphorous acid tris(5-decyl-2-phenanthrenyl) ester IUPAC Name: tris(5-decylphenanthren-2-yl) phosphite Traditional Name: phosphorous acid tris(5-decyl-2-phenanthryl) ester Formula: C72H87O3P MolecularWeight: 1031.433141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=CC2=C1C3=C(C=C2)C=C(C=C3)OP(OC4=CC5=C(C=C4)C6=C(C=CC=C6CCCCCCCCCC)C=C5)OC7=CC8=C(C=C7)C9=C(C=CC=C9CCCCCCCCCC)C=C8

Isomeric SMILES

CCCCCCCCCCC1=CC=CC2=C1C3=C(C=C2)C=C(C=C3)OP(OC4=CC5=C(C=C4)C6=C(C=CC=C6CCCCCCCCCC)C=C5)OC7=CC8=C(C=C7)C9=C(C=CC=C9CCCCCCCCCC)C=C8

InChI

InChI=1S/C72H87O3P/c1-4-7-10-13-16-19-22-25-31-55-34-28-37-58-40-43-61-52-64(46-49-67(61)70(55)58)73-76(74-65-47-50-68-62(53-65)44-41-59-38-29-35-56(71(59)68)32-26-23-20-17-14-11-8-5-2)75-66-48-51-69-63(54-66)45-42-60-39-30-36-57(72(60)69)33-27-24-21-18-15-12-9-6-3/h28-30,34-54H,4-27,31-33H2,1-3H3