7-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]heptanoic acid

Systemtic Name: 7-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]heptanoic acid Openeye Name: 7-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanylheptanoic acid CAS Name: 7-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]heptanoic acid IUPAC Name: 7-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]heptanoic acid Traditional Name: 7-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]enanthic acid Formula: C22H21Cl2NO3S MolecularWeight: 450.37804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2NO3S/c23-17-10-6-15(7-11-17)20-21(16-8-12-18(24)13-9-16)28-22(25-20)29-14-4-2-1-3-5-19(26)27/h6-13H,1-5,14H2,(H,26,27)