4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; hafnium; methanidylbenzene

Systemtic Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; hafnium; methanidylbenzene Openeye Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; hafnium; methanidylbenzene CAS Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; hafnium; methanidylbenzene IUPAC Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; hafnium; methanidylbenzene Traditional Name: 4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide; ethanol; hafnium; methanidylbenzene Formula: C37H42HfO-4 MolecularWeight: 681.21878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.C[CH-]O.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C.C[CH-]O.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf]

InChI

InChI=1S/C21H23.2C7H7.C2H5O.Hf/c1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;2*1-7-5-3-2-4-6-7;1-2-3;/h6-14H,5H2,1-4H3;2*2-6H,1H2;2-3H,1H3;/q4*-1;