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

Systemtic Name: 4-methylbenzoate; tris(2-methyl-2-phenyl-propyl)stannanylium Openeye Name: 4-methylbenzoate; tris(2-methyl-2-phenyl-propyl)stannanylium CAS Name: 4-methylbenzoate; tris(2-methyl-2-phenylpropyl)stannanylium IUPAC Name: 4-methylbenzoate; tris(2-methyl-2-phenylpropyl)stannanylium Traditional Name: 4-methylbenzoate; trineophylstannanylium Formula: C38H46O2Sn MolecularWeight: 653.48064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/3C10H13.C8H8O2.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-6-2-4-7(5-3-6)8(9)10;/h3*4-8H,1H2,2-3H3;2-5H,1H3,(H,9,10);/q;;;;+1/p-1