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4-[2-[methyl(16-sulfinohexadecanoyl)amino]phenoxy]butanoic acid

4-[2-[methyl(16-sulfinohexadecanoyl)amino]phenoxy]butanoic acid

Systemtic Name:4-[2-[methyl(16-sulfinohexadecanoyl)amino]phenoxy]butanoic acid
Openeye Name:4-[2-[methyl(16-sulfinohexadecanoyl)amino]phenoxy]butanoic acid
CAS Name:4-[2-[methyl-(1-oxo-16-sulfinohexadecyl)amino]phenoxy]butanoic acid
IUPAC Name:4-[2-[methyl(16-sulfinohexadecanoyl)amino]phenoxy]butanoic acid
Traditional Name:4-[2-[methyl(16-sulfinohexadecanoyl)amino]phenoxy]butyric acid
Formula: C27H45NO6S
MolecularWeight: 511.7143
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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1OCCCC(=O)O)C(=O)CCCCCCCCCCCCCCCS(=O)O


Isomeric SMILES

CN(C1=CC=CC=C1OCCCC(=O)O)C(=O)CCCCCCCCCCCCCCCS(=O)O


InChI

InChI=1S/C27H45NO6S/c1-28(24-18-14-15-19-25(24)34-22-17-21-27(30)31)26(29)20-13-11-9-7-5-3-2-4-6-8-10-12-16-23-35(32)33/h14-15,18-19H,2-13,16-17,20-23H2,1H3,(H,30,31)(H,32,33)


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