4-butylbenzoate; tris(2-methyl-2-phenyl-propyl)stannanylium

Systemtic Name: 4-butylbenzoate; tris(2-methyl-2-phenyl-propyl)stannanylium Openeye Name: 4-butylbenzoate; tris(2-methyl-2-phenyl-propyl)stannanylium CAS Name: 4-butylbenzoate; tris(2-methyl-2-phenylpropyl)stannanylium IUPAC Name: 4-butylbenzoate; tris(2-methyl-2-phenylpropyl)stannanylium Traditional Name: 4-butylbenzoate; trineophylstannanylium Formula: C41H52O2Sn MolecularWeight: 695.56038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=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

CCCCC1=CC=C(C=C1)C(=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/C11H14O2.3C10H13.Sn/c1-2-3-4-9-5-7-10(8-6-9)11(12)13;3*1-10(2,3)9-7-5-4-6-8-9;/h5-8H,2-4H2,1H3,(H,12,13);3*4-8H,1H2,2-3H3;/q;;;;+1/p-1