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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25Cl2NO3S/c1-2-3-4-5-6-7-20(23(28)29)31-24-27-21(16-8-12-18(25)13-9-16)22(30-24)17-10-14-19(26)15-11-17/h8-15,20H,2-7H2,1H3,(H,28,29)