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4-[2-(19-methylsulfanylnonadecanoylamino)phenoxy]butanoic acid

4-[2-(19-methylsulfanylnonadecanoylamino)phenoxy]butanoic acid

Systemtic Name:4-[2-(19-methylsulfanylnonadecanoylamino)phenoxy]butanoic acid
Openeye Name:4-[2-(19-methylsulfanylnonadecanoylamino)phenoxy]butanoic acid
CAS Name:4-[2-[[19-(methylthio)-1-oxononadecyl]amino]phenoxy]butanoic acid
IUPAC Name:4-[2-(19-methylsulfanylnonadecanoylamino)phenoxy]butanoic acid
Traditional Name:4-[2-[19-(methylthio)nonadecanoylamino]phenoxy]butyric acid
Formula: C30H51NO4S
MolecularWeight: 521.79524
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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O


Isomeric SMILES

CSCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O


InChI

InChI=1S/C30H51NO4S/c1-36-26-19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-23-29(32)31-27-21-17-18-22-28(27)35-25-20-24-30(33)34/h17-18,21-22H,2-16,19-20,23-26H2,1H3,(H,31,32)(H,33,34)


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