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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2NO3S/c1-2-3-4-5-6-19(22(27)28)30-23-26-20(15-7-11-17(24)12-8-15)21(29-23)16-9-13-18(25)14-10-16/h7-14,19H,2-6H2,1H3,(H,27,28)