9-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]nonanoic acid

Systemtic Name: 9-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]nonanoic acid Openeye Name: 9-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanylnonanoic acid CAS Name: 9-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]nonanoic acid IUPAC Name: 9-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]nonanoic acid Traditional Name: 9-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]pelargonic acid Formula: C24H25Cl2NO3S MolecularWeight: 478.4312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25Cl2NO3S/c25-19-12-8-17(9-13-19)22-23(18-10-14-20(26)15-11-18)30-24(27-22)31-16-6-4-2-1-3-5-7-21(28)29/h8-15H,1-7,16H2,(H,28,29)