3-[2-(11-phosphonoundecanoylamino)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(11-phosphonoundecanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-(11-phosphonoundecanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(1-oxo-11-phosphonoundecyl)amino]phenyl]thio]propanoic acid IUPAC Name: 3-[2-(11-phosphonoundecanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(11-phosphonoundecanoylamino)phenyl]thio]propionic acid Formula: C20H32NO6PS MolecularWeight: 445.509941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCP(=O)(O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCP(=O)(O)O)SCCC(=O)O

InChI

InChI=1S/C20H32NO6PS/c22-19(13-7-5-3-1-2-4-6-10-15-28(25,26)27)21-17-11-8-9-12-18(17)29-16-14-20(23)24/h8-9,11-12H,1-7,10,13-16H2,(H,21,22)(H,23,24)(H2,25,26,27)