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

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]decanoic acid Openeye Name: 2-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanyldecanoic acid CAS Name: 2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]decanoic acid IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]decanoic acid Traditional Name: 2-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]capric acid Formula: C25H27Cl2NO3S MolecularWeight: 492.45778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H27Cl2NO3S/c1-2-3-4-5-6-7-8-21(24(29)30)32-25-28-22(17-9-13-19(26)14-10-17)23(31-25)18-11-15-20(27)16-12-18/h9-16,21H,2-8H2,1H3,(H,29,30)