4-[2-(16-phosphonohexadecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(16-phosphonohexadecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(16-phosphonohexadecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(1-oxo-16-phosphonohexadecyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(16-phosphonohexadecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(16-phosphonohexadecanoylamino)phenyl]thio]butyric acid Formula: C26H44NO6PS MolecularWeight: 529.669421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44NO6PS/c28-25(27-23-17-13-14-18-24(23)35-22-16-20-26(29)30)19-12-10-8-6-4-2-1-3-5-7-9-11-15-21-34(31,32)33/h13-14,17-18H,1-12,15-16,19-22H2,(H,27,28)(H,29,30)(H2,31,32,33)