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2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)-1,3-oxazol-4-yl]ethanoic acid

2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)-1,3-oxazol-4-yl]ethanoic acid

Systemtic Name:2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)-1,3-oxazol-4-yl]ethanoic acid
Openeye Name:2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)oxazol-4-yl]acetic acid
CAS Name:2-[5-ethoxy-2-[4-(hexadecylthio)phenyl]-4-oxazolyl]acetic acid
IUPAC Name:2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)-1,3-oxazol-4-yl]acetic acid
Traditional Name:2-[2-[4-(cetylthio)phenyl]-5-ethoxy-oxazol-4-yl]acetic acid
Formula: C29H45NO4S
MolecularWeight: 503.7369
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=NC(=C(O2)OCC)CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=NC(=C(O2)OCC)CC(=O)O


InChI

InChI=1S/C29H45NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-25-20-18-24(19-21-25)28-30-26(23-27(31)32)29(34-28)33-4-2/h18-21H,3-17,22-23H2,1-2H3,(H,31,32)


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