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

Systemtic Name: 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoic acid; dimethyltin Openeye Name: 2-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]acetic acid; dimethyltin CAS Name: 2-[4-(4-chlorophenyl)-2-phenyl-5-thiazolyl]acetic acid; dimethyltin IUPAC Name: 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid; dimethyltin Traditional Name: 2-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]acetic acid; dimethyltin Formula: C36H30Cl2N2O4S2Sn MolecularWeight: 808.3804

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Descriptors Computed from Structure

Canonical SMILES:

C[Sn]C.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

C[Sn]C.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.2CH3.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;;;/h2*1-9H,10H2,(H,20,21);2*1H3;