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2-(1,3-benzoxazol-2-ylsulfanyl)dodecanoic acid

2-(1,3-benzoxazol-2-ylsulfanyl)dodecanoic acid

Systemtic Name:2-(1,3-benzoxazol-2-ylsulfanyl)dodecanoic acid
Openeye Name:2-(1,3-benzoxazol-2-ylsulfanyl)dodecanoic acid
CAS Name:2-(1,3-benzoxazol-2-ylthio)dodecanoic acid
IUPAC Name:2-(1,3-benzoxazol-2-ylsulfanyl)dodecanoic acid
Traditional Name:2-(1,3-benzoxazol-2-ylthio)lauric acid
Formula: C19H27NO3S
MolecularWeight: 349.48758
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)O)SC1=NC2=CC=CC=C2O1


Isomeric SMILES

CCCCCCCCCCC(C(=O)O)SC1=NC2=CC=CC=C2O1


InChI

InChI=1S/C19H27NO3S/c1-2-3-4-5-6-7-8-9-14-17(18(21)22)24-19-20-15-12-10-11-13-16(15)23-19/h10-13,17H,2-9,14H2,1H3,(H,21,22)


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