tris(2,3,4-trimethylbenzo[a]anthracen-1-yl) borate

Systemtic Name: tris(2,3,4-trimethylbenzo[a]anthracen-1-yl) borate Openeye Name: tris(2,3,4-trimethylbenzo[a]anthracen-1-yl) borate CAS Name: tris(2,3,4-trimethyl-1-benzo[a]anthracenyl) borate IUPAC Name: tris(2,3,4-trimethylbenzo[a]anthracen-1-yl) borate Traditional Name: tris(2,3,4-trimethylbenz[a]anthracen-1-yl) borate Formula: C63H51BO3 MolecularWeight: 866.88824

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Descriptors Computed from Structure

Canonical SMILES:

B(OC1=C(C(=C(C2=C1C3=CC4=CC=CC=C4C=C3C=C2)C)C)C)(OC5=C(C(=C(C6=C5C7=CC8=CC=CC=C8C=C7C=C6)C)C)C)OC9=C(C(=C(C1=C9C2=CC3=CC=CC=C3C=C2C=C1)C)C)C

Isomeric SMILES

B(OC1=C(C(=C(C2=C1C3=CC4=CC=CC=C4C=C3C=C2)C)C)C)(OC5=C(C(=C(C6=C5C7=CC8=CC=CC=C8C=C7C=C6)C)C)C)OC9=C(C(=C(C1=C9C2=CC3=CC=CC=C3C=C2C=C1)C)C)C

InChI

InChI=1S/C63H51BO3/c1-34-37(4)52-25-22-49-28-43-16-10-13-19-46(43)31-55(49)58(52)61(40(34)7)65-64(66-62-41(8)35(2)38(5)53-26-23-50-29-44-17-11-14-20-47(44)32-56(50)59(53)62)67-63-42(9)36(3)39(6)54-27-24-51-30-45-18-12-15-21-48(45)33-57(51)60(54)63/h10-33H,1-9H3