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

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

Systemtic Name:2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]undecanoic acid
Openeye Name:2-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanylundecanoic acid
CAS Name:2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]undecanoic acid
IUPAC Name:2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]undecanoic acid
Traditional Name:2-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]undecanoic acid
Formula: C26H29Cl2NO3S
MolecularWeight: 506.48436
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H29Cl2NO3S/c1-2-3-4-5-6-7-8-9-22(25(30)31)33-26-29-23(18-10-14-20(27)15-11-18)24(32-26)19-12-16-21(28)17-13-19/h10-17,22H,2-9H2,1H3,(H,30,31)


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