buta-1,3-diene; neodymium(3+); octanoate

Systemtic Name: buta-1,3-diene; neodymium(3+); octanoate Openeye Name: buta-1,3-diene; neodymium(3+); octanoate CAS Name: buta-1,3-diene; neodymium(3+); octanoate IUPAC Name: buta-1,3-diene; neodymium(3+); octanoate Traditional Name: buta-1,3-diene; caprylate; neodymium(3+) Formula: C28H51NdO6 MolecularWeight: 627.94094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].C=CC=C.[Nd+3]

Isomeric SMILES

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].C=CC=C.[Nd+3]

InChI

InChI=1S/3C8H16O2.C4H6.Nd/c3*1-2-3-4-5-6-7-8(9)10;1-3-4-2;/h3*2-7H2,1H3,(H,9,10);3-4H,1-2H2;/q;;;;+3/p-3