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4-[2-(19-sulfononadecanoylamino)phenyl]sulfanylbutanoic acid

4-[2-(19-sulfononadecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name:4-[2-(19-sulfononadecanoylamino)phenyl]sulfanylbutanoic acid
Openeye Name:4-[2-(19-sulfononadecanoylamino)phenyl]sulfanylbutanoic acid
CAS Name:4-[[2-[(1-oxo-19-sulfononadecyl)amino]phenyl]thio]butanoic acid
IUPAC Name:4-[2-(19-sulfononadecanoylamino)phenyl]sulfanylbutanoic acid
Traditional Name:4-[[2-(19-sulfononadecanoylamino)phenyl]thio]butyric acid
Formula: C29H49NO6S2
MolecularWeight: 571.83246
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCCS(=O)(=O)O)SCCCC(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCCS(=O)(=O)O)SCCCC(=O)O


InChI

InChI=1S/C29H49NO6S2/c31-28(30-26-20-16-17-21-27(26)37-24-19-23-29(32)33)22-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-25-38(34,35)36/h16-17,20-21H,1-15,18-19,22-25H2,(H,30,31)(H,32,33)(H,34,35,36)


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