2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoic acid; tributyltin

Systemtic Name: 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoic acid; tributyltin Openeye Name: 2-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]acetic acid; tributyltin CAS Name: 2-[4-(4-chlorophenyl)-2-phenyl-5-thiazolyl]acetic acid; tributyltin IUPAC Name: 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid; tributyltin Traditional Name: 2-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]acetic acid; tributyltin Formula: C29H39ClNO2SSn MolecularWeight: 619.85346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)CCCC.C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC[Sn](CCCC)CCCC.C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO2S.3C4H9.Sn/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;3*1-3-4-2;/h1-9H,10H2,(H,20,21);3*1,3-4H2,2H3;