6-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-2,4,8,10-tetratert-butyl-benzo[d][1,3,2]benzodioxaphosphepine; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate

Systemtic Name: 6-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-2,4,8,10-tetratert-butyl-benzo[d][1,3,2]benzodioxaphosphepine; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate Openeye Name: 6-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-2,4,8,10-tetratert-butyl-benzo[d][1,3,2]benzodioxaphosphepine; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate CAS Name: 6-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[(2,4,8,10-tetratert-butyl-6-benzo[d][1,3,2]benzodioxaphosphepinyl)oxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate IUPAC Name: 6-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepine; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate Traditional Name: 6-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-2,4,8,10-tetratert-butyl-benzo[d][1,3,2]benzodioxaphosphepin; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate Formula: C72H104BF4IrO9P2- MolecularWeight: 1454.559895

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1(OC2C(C(OC2O1)COP3OC4=C(C=C(C=C4C5=CC(=CC(=C5O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)OP6OC7=C(C=C(C=C7C8=CC(=CC(=C8O6)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C.C1CC=CCCC=C1.[Ir]

Isomeric SMILES

[B-](F)(F)(F)F.CC1(O[C@H]2O[C@@H]([C@@H]([C@H]2O1)OP3OC4=C(C=C(C=C4C5=CC(=CC(=C5O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)COP6OC7=C(C=C(C=C7C8=CC(=CC(=C8O6)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C.C1/C=C\CC/C=C\C1.[Ir]

InChI

InChI=1S/C64H92O9P2.C8H12.BF4.Ir/c1-56(2,3)36-27-40-41-28-37(57(4,5)6)32-45(61(16,17)18)50(41)70-74(69-49(40)44(31-36)60(13,14)15)65-35-48-53(54-55(66-48)68-64(25,26)67-54)73-75-71-51-42(29-38(58(7,8)9)33-46(51)62(19,20)21)43-30-39(59(10,11)12)34-47(52(43)72-75)63(22,23)24;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h27-34,48,53-55H,35H2,1-26H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t48-,53+,54-,55-;;;/m1.../s1