(phenylmethyl) hexanoate thiophosphate

Systemtic Name: (phenylmethyl) hexanoate thiophosphate Openeye Name: benzyl hexanoate thiophosphate CAS Name: hexanoic acid (phenylmethyl) ester thiophosphate IUPAC Name: benzyl hexanoate thiophosphate Traditional Name: hexanoic acid benzyl ester thiophosphate Formula: C13H18O5PS-3 MolecularWeight: 317.317781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC1=CC=CC=C1.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CCCCCC(=O)OCC1=CC=CC=C1.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C13H18O2.H3O3PS/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12;1-4(2,3)5/h4,6-9H,2-3,5,10-11H2,1H3;(H3,1,2,3,5)/p-3