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

Systemtic Name: 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoic acid; dibutyltin Openeye Name: 2-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]acetic acid; dibutyltin CAS Name: 2-[4-(4-chlorophenyl)-2-phenyl-5-thiazolyl]acetic acid; dibutyltin IUPAC Name: 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid; dibutyltin Traditional Name: 2-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]acetic acid; dibutyltin Formula: C42H42Cl2N2O4S2Sn MolecularWeight: 892.53988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H12ClNO2S.2C4H9.Sn/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;2*1-3-4-2;/h2*1-9H,10H2,(H,20,21);2*1,3-4H2,2H3;