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5-[2-(11-propan-2-ylsulfanylundecanoylamino)phenoxy]pentanoic acid

5-[2-(11-propan-2-ylsulfanylundecanoylamino)phenoxy]pentanoic acid

Systemtic Name:5-[2-(11-propan-2-ylsulfanylundecanoylamino)phenoxy]pentanoic acid
Openeye Name:5-[2-(11-isopropylsulfanylundecanoylamino)phenoxy]pentanoic acid
CAS Name:5-[2-[[1-oxo-11-(propan-2-ylthio)undecyl]amino]phenoxy]pentanoic acid
IUPAC Name:5-[2-(11-propan-2-ylsulfanylundecanoylamino)phenoxy]pentanoic acid
Traditional Name:5-[2-[11-(isopropylthio)undecanoylamino]phenoxy]valeric acid
Formula: C25H41NO4S
MolecularWeight: 451.66234
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCCC(=O)O


Isomeric SMILES

CC(C)SCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCCC(=O)O


InChI

InChI=1S/C25H41NO4S/c1-21(2)31-20-14-8-6-4-3-5-7-9-17-24(27)26-22-15-10-11-16-23(22)30-19-13-12-18-25(28)29/h10-11,15-16,21H,3-9,12-14,17-20H2,1-2H3,(H,26,27)(H,28,29)


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