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

Systemtic Name: 8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoic acid Openeye Name: 8-(4,5-diphenyloxazol-2-yl)sulfanyloctanoic acid CAS Name: 8-[(4,5-diphenyl-2-oxazolyl)thio]octanoic acid IUPAC Name: 8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoic acid Traditional Name: 8-[(4,5-diphenyloxazol-2-yl)thio]caprylic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)SCCCCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)SCCCCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO3S/c25-20(26)16-10-2-1-3-11-17-28-23-24-21(18-12-6-4-7-13-18)22(27-23)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,25,26)