3-[3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-phenyl]propanoate; dibutyltin(2+)

Systemtic Name: 3-[3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-phenyl]propanoate; dibutyltin(2+) Openeye Name: 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxy-phenyl]propanoate; dibutyltin(2+) CAS Name: 3-[3-tert-butyl-5-(5-chloro-2-benzotriazolyl)-4-hydroxyphenyl]propanoate; dibutyltin(2+) IUPAC Name: 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate; dibutyltin(2+) Traditional Name: 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxy-phenyl]propionate; dibutyltin(2+) Formula: C46H56Cl2N6O6Sn MolecularWeight: 978.58944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+2]CCCC.CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)[O-])N2N=C3C=CC(=CC3=N2)Cl)O.CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)[O-])N2N=C3C=CC(=CC3=N2)Cl)O

Isomeric SMILES

CCCC[Sn+2]CCCC.CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)[O-])N2N=C3C=CC(=CC3=N2)Cl)O.CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)[O-])N2N=C3C=CC(=CC3=N2)Cl)O

InChI

InChI=1S/2C19H20ClN3O3.2C4H9.Sn/c2*1-19(2,3)13-8-11(4-7-17(24)25)9-16(18(13)26)23-21-14-6-5-12(20)10-15(14)22-23;2*1-3-4-2;/h2*5-6,8-10,26H,4,7H2,1-3H3,(H,24,25);2*1,3-4H2,2H3;/q;;;;+2/p-2