3-methyloctanoate; tris(2-methyl-2-phenyl-propyl)stannanylium

Systemtic Name: 3-methyloctanoate; tris(2-methyl-2-phenyl-propyl)stannanylium Openeye Name: 3-methyloctanoate; tris(2-methyl-2-phenyl-propyl)stannanylium CAS Name: 3-methyloctanoate; tris(2-methyl-2-phenylpropyl)stannanylium IUPAC Name: 3-methyloctanoate; tris(2-methyl-2-phenylpropyl)stannanylium Traditional Name: 3-methylcaprylate; trineophylstannanylium Formula: C39H56O2Sn MolecularWeight: 675.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CC(=O)[O-].CC(C)(C[Sn+](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(C)CC(=O)[O-].CC(C)(C[Sn+](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/3C10H13.C9H18O2.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-3-4-5-6-8(2)7-9(10)11;/h3*4-8H,1H2,2-3H3;8H,3-7H2,1-2H3,(H,10,11);/q;;;;+1/p-1