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7-[2-(12-methylsulfanyldodecanoylamino)phenoxy]heptanoic acid

7-[2-(12-methylsulfanyldodecanoylamino)phenoxy]heptanoic acid

Systemtic Name:7-[2-(12-methylsulfanyldodecanoylamino)phenoxy]heptanoic acid
Openeye Name:7-[2-(12-methylsulfanyldodecanoylamino)phenoxy]heptanoic acid
CAS Name:7-[2-[[12-(methylthio)-1-oxododecyl]amino]phenoxy]heptanoic acid
IUPAC Name:7-[2-(12-methylsulfanyldodecanoylamino)phenoxy]heptanoic acid
Traditional Name:7-[2-[12-(methylthio)dodecanoylamino]phenoxy]enanthic acid
Formula: C26H43NO4S
MolecularWeight: 465.68892
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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCCCCC(=O)O


Isomeric SMILES

CSCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCCCCC(=O)O


InChI

InChI=1S/C26H43NO4S/c1-32-22-16-10-6-4-2-3-5-7-11-19-25(28)27-23-17-13-14-18-24(23)31-21-15-9-8-12-20-26(29)30/h13-14,17-18H,2-12,15-16,19-22H2,1H3,(H,27,28)(H,29,30)


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