11-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]undecanoic acid

Systemtic Name: 11-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]undecanoic acid Openeye Name: 11-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanylundecanoic acid CAS Name: 11-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]undecanoic acid IUPAC Name: 11-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]undecanoic acid Traditional Name: 11-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]undecanoic acid Formula: C26H29Cl2NO3S MolecularWeight: 506.48436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(OC(=N2)SCCCCCCCCCCC(=O)O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(OC(=N2)SCCCCCCCCCCC(=O)O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C26H29Cl2NO3S/c27-21-14-10-19(11-15-21)24-25(20-12-16-22(28)17-13-20)32-26(29-24)33-18-8-6-4-2-1-3-5-7-9-23(30)31/h10-17H,1-9,18H2,(H,30,31)