5-[2-(10-phosphonodecanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 5-[2-(10-phosphonodecanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 5-[2-(10-phosphonodecanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 5-[[2-[(1-oxo-10-phosphonodecyl)amino]phenyl]thio]pentanoic acid IUPAC Name: 5-[2-(10-phosphonodecanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 5-[[2-(10-phosphonodecanoylamino)phenyl]thio]valeric acid Formula: C21H34NO6PS MolecularWeight: 459.536521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCP(=O)(O)O)SCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCP(=O)(O)O)SCCCCC(=O)O

InChI

InChI=1S/C21H34NO6PS/c23-20(14-6-4-2-1-3-5-10-16-29(26,27)28)22-18-12-7-8-13-19(18)30-17-11-9-15-21(24)25/h7-8,12-13H,1-6,9-11,14-17H2,(H,22,23)(H,24,25)(H2,26,27,28)