butan-1-ol; 2-methanidylpropan-2-ylbenzene; zirconium(2+)

Systemtic Name: butan-1-ol; 2-methanidylpropan-2-ylbenzene; zirconium(2+) Openeye Name: butan-1-ol; (1-methanidyl-1-methyl-ethyl)benzene; zirconium(2+) CAS Name: 1-butanol; 2-methanidylpropan-2-ylbenzene; zirconium(2+) IUPAC Name: butan-1-ol; 2-methanidylpropan-2-ylbenzene; zirconium(2+) Traditional Name: butan-1-ol; (1-methanidyl-1-methyl-ethyl)benzene; zirconium(2+) Formula: C28H46O2Zr MolecularWeight: 505.88764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.[Zr+2]

Isomeric SMILES

CCCCO.CCCCO.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.[Zr+2]

InChI

InChI=1S/2C10H13.2C4H10O.Zr/c2*1-10(2,3)9-7-5-4-6-8-9;2*1-2-3-4-5;/h2*4-8H,1H2,2-3H3;2*5H,2-4H2,1H3;/q2*-1;;;+2