(4-octylphenyl) butanoate thiophosphate

Systemtic Name: (4-octylphenyl) butanoate thiophosphate Openeye Name: (4-octylphenyl) butanoate thiophosphate CAS Name: butanoic acid (4-octylphenyl) ester thiophosphate IUPAC Name: (4-octylphenyl) butanoate thiophosphate Traditional Name: butyric acid (4-octylphenyl) ester thiophosphate Formula: C18H28O5PS-3 MolecularWeight: 387.450681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)CCC.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)CCC.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C18H28O2.H3O3PS/c1-3-5-6-7-8-9-11-16-12-14-17(15-13-16)20-18(19)10-4-2;1-4(2,3)5/h12-15H,3-11H2,1-2H3;(H3,1,2,3,5)/p-3