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

Systemtic Name: tris(2,3,4-tributylbenzo[a]anthracen-1-yl) borate Openeye Name: tris(2,3,4-tributylbenzo[a]anthracen-1-yl) borate CAS Name: tris(2,3,4-tributyl-1-benzo[a]anthracenyl) borate IUPAC Name: tris(2,3,4-tributylbenzo[a]anthracen-1-yl) borate Traditional Name: tris(2,3,4-tributylbenz[a]anthracen-1-yl) borate Formula: C90H105BO3 MolecularWeight: 1245.6059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C90H105BO3/c1-10-19-40-70-73(43-22-13-4)79(46-25-16-7)88(85-76(70)52-49-67-55-61-34-28-31-37-64(61)58-82(67)85)92-91(93-89-80(47-26-17-8)74(44-23-14-5)71(41-20-11-2)77-53-50-68-56-62-35-29-32-38-65(62)59-83(68)86(77)89)94-90-81(48-27-18-9)75(45-24-15-6)72(42-21-12-3)78-54-51-69-57-63-36-30-33-39-66(63)60-84(69)87(78)90/h28-39,49-60H,10-27,40-48H2,1-9H3