(2-ethyl-6-quinolin-8-yl-phenyl)sulfanylphosphonic acid

Systemtic Name: (2-ethyl-6-quinolin-8-yl-phenyl)sulfanylphosphonic acid Openeye Name: [2-ethyl-6-(8-quinolyl)phenyl]sulfanylphosphonic acid CAS Name: [[2-ethyl-6-(8-quinolinyl)phenyl]thio]phosphonic acid IUPAC Name: (2-ethyl-6-quinolin-8-ylphenyl)sulfanylphosphonic acid Traditional Name: [[2-ethyl-6-(8-quinolyl)phenyl]thio]phosphonic acid Formula: C17H16NO3PS MolecularWeight: 345.352601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1SP(=O)(O)O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCC1=CC=CC(=C1SP(=O)(O)O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H16NO3PS/c1-2-12-6-3-10-15(17(12)23-22(19,20)21)14-9-4-7-13-8-5-11-18-16(13)14/h3-11H,2H2,1H3,(H2,19,20,21)