tris[1-(1,3-benzoxazol-2-yl)naphthalen-2-yl] phosphate

Systemtic Name: tris[1-(1,3-benzoxazol-2-yl)naphthalen-2-yl] phosphate Openeye Name: tris[1-(1,3-benzoxazol-2-yl)-2-naphthyl] phosphate CAS Name: phosphoric acid tris[1-(1,3-benzoxazol-2-yl)-2-naphthalenyl] ester IUPAC Name: tris[1-(1,3-benzoxazol-2-yl)naphthalen-2-yl] phosphate Traditional Name: phosphoric acid tris[1-(1,3-benzoxazol-2-yl)-2-naphthyl] ester Formula: C51H30N3O7P MolecularWeight: 827.773561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C3=NC4=CC=CC=C4O3)OP(=O)(OC5=C(C6=CC=CC=C6C=C5)C7=NC8=CC=CC=C8O7)OC9=C(C1=CC=CC=C1C=C9)C1=NC2=CC=CC=C2O1

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C3=NC4=CC=CC=C4O3)OP(=O)(OC5=C(C6=CC=CC=C6C=C5)C7=NC8=CC=CC=C8O7)OC9=C(C1=CC=CC=C1C=C9)C1=NC2=CC=CC=C2O1

InChI

InChI=1S/C51H30N3O7P/c55-62(59-43-28-25-31-13-1-4-16-34(31)46(43)49-52-37-19-7-10-22-40(37)56-49,60-44-29-26-32-14-2-5-17-35(32)47(44)50-53-38-20-8-11-23-41(38)57-50)61-45-30-27-33-15-3-6-18-36(33)48(45)51-54-39-21-9-12-24-42(39)58-51/h1-30H