[2-(octanoylamino)-2-phenyl-ethyl]sulfanylphosphonic acid

Systemtic Name: [2-(octanoylamino)-2-phenyl-ethyl]sulfanylphosphonic acid Openeye Name: [2-(octanoylamino)-2-phenyl-ethyl]sulfanylphosphonic acid CAS Name: [[2-(1-oxooctylamino)-2-phenylethyl]thio]phosphonic acid IUPAC Name: [2-(octanoylamino)-2-phenylethyl]sulfanylphosphonic acid Traditional Name: [[2-(caprylylamino)-2-phenyl-ethyl]thio]phosphonic acid Formula: C16H26NO4PS MolecularWeight: 359.420701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CSP(=O)(O)O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)NC(CSP(=O)(O)O)C1=CC=CC=C1

InChI

InChI=1S/C16H26NO4PS/c1-2-3-4-5-9-12-16(18)17-15(13-23-22(19,20)21)14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,17,18)(H2,19,20,21)