butan-1-ol; methanidylbenzene; zirconium(3+)

Systemtic Name: butan-1-ol; methanidylbenzene; zirconium(3+) Openeye Name: butan-1-ol; methanidylbenzene; zirconium(3+) CAS Name: 1-butanol; methanidylbenzene; zirconium(3+) IUPAC Name: butan-1-ol; methanidylbenzene; zirconium(3+) Traditional Name: butan-1-ol; methanidylbenzene; zirconium(3+) Formula: C25H31OZr MolecularWeight: 438.73704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

Isomeric SMILES

CCCCO.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

InChI

InChI=1S/3C7H7.C4H10O.Zr/c3*1-7-5-3-2-4-6-7;1-2-3-4-5;/h3*2-6H,1H2;5H,2-4H2,1H3;/q3*-1;;+3