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2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-1,3-benzoxazole

2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name:2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-1,3-benzoxazole
Openeye Name:2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-1,3-benzoxazole
CAS Name:2-[(2-ethoxy-6-pentadecylphenyl)methylthio]-1,3-benzoxazole
IUPAC Name:2-[(2-ethoxy-6-pentadecylphenyl)methylsulfanyl]-1,3-benzoxazole
Traditional Name:2-[(2-ethoxy-6-pentadecyl-benzyl)thio]-1,3-benzoxazole
Formula: C31H45NO2S
MolecularWeight: 495.7595
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)CSC2=NC3=CC=CC=C3O2


Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)CSC2=NC3=CC=CC=C3O2


InChI

InChI=1S/C31H45NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-21-19-24-29(33-4-2)27(26)25-35-31-32-28-22-17-18-23-30(28)34-31/h17-19,21-24H,3-16,20,25H2,1-2H3


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