8-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]octanoic acid

Systemtic Name: 8-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]octanoic acid Openeye Name: 8-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanyloctanoic acid CAS Name: 8-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]octanoic acid IUPAC Name: 8-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]octanoic acid Traditional Name: 8-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]caprylic acid Formula: C23H23Cl2NO3S MolecularWeight: 464.40462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2NO3S/c24-18-11-7-16(8-12-18)21-22(17-9-13-19(25)14-10-17)29-23(26-21)30-15-5-3-1-2-4-6-20(27)28/h7-14H,1-6,15H2,(H,27,28)