2,3,3a,4-tetrahydro-1H-azulen-8a-ide; prop-1-ene; zirconium(4+)

Systemtic Name: 2,3,3a,4-tetrahydro-1H-azulen-8a-ide; prop-1-ene; zirconium(4+) Openeye Name: 2,3,3a,4-tetrahydro-1H-azulen-8a-ide; prop-1-ene; zirconium(4+) CAS Name: 2,3,3a,4-tetrahydro-1H-azulen-8a-ide; 1-propene; zirconium(4+) IUPAC Name: 2,3,3a,4-tetrahydro-1H-azulen-8a-ide; prop-1-ene; zirconium(4+) Traditional Name: 2,3,3a,4-tetrahydro-1H-azulen-8a-ide; prop-1-ene; zirconium(4+) Formula: C26H36Zr MolecularWeight: 439.78804

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C=C.[CH2-]C=C.C1CC2CC=CC=C[C-]2C1.C1CC2CC=CC=C[C-]2C1.[Zr+4]

Isomeric SMILES

[CH2-]C=C.[CH2-]C=C.C1CC2CC=CC=C[C-]2C1.C1CC2CC=CC=C[C-]2C1.[Zr+4]

InChI

InChI=1S/2C10H13.2C3H5.Zr/c2*1-2-5-9-7-4-8-10(9)6-3-1;2*1-3-2;/h2*1-3,5,10H,4,6-8H2;2*3H,1-2H2;/q4*-1;+4