bis(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)-diphenyl-silane; titanium(2+)

Systemtic Name: bis(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)-diphenyl-silane; titanium(2+) Openeye Name: bis[1-butyl-2-ethyl-3-(1-naphthyl)-1H-inden-4-yl]-diphenyl-silane; titanium(2+) CAS Name: bis[1-butyl-2-ethyl-3-(1-naphthalenyl)-1H-inden-4-yl]-diphenylsilane; titanium(2+) IUPAC Name: bis(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)-diphenylsilane; titanium(2+) Traditional Name: bis[1-butyl-2-ethyl-3-(1-naphthyl)-1H-inden-4-yl]-diphenyl-silane; titanium(2+) Formula: C62H58SiTi MolecularWeight: 879.07642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1CCC[CH2-])C=CC=C2[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC6=C5C(=C(C6CCC[CH2-])CC)C7=CC=CC8=CC=CC=C87)C9=CC=CC1=CC=CC=C19.[Ti+2]

Isomeric SMILES

CCC1=C(C2=C(C1CCC[CH2-])C=CC=C2[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC6=C5C(=C(C6CCC[CH2-])CC)C7=CC=CC8=CC=CC=C87)C9=CC=CC1=CC=CC=C19.[Ti+2]

InChI

InChI=1S/C62H58Si.Ti/c1-5-9-33-51-47(7-3)59(53-37-21-27-43-25-17-19-35-49(43)53)61-55(51)39-23-41-57(61)63(45-29-13-11-14-30-45,46-31-15-12-16-32-46)58-42-24-40-56-52(34-10-6-2)48(8-4)60(62(56)58)54-38-22-28-44-26-18-20-36-50(44)54;/h11-32,35-42,51-52H,1-2,5-10,33-34H2,3-4H3;/q-2;+2