hexane; 1-phenylethanol; thiophosphate

Systemtic Name: hexane; 1-phenylethanol; thiophosphate Openeye Name: hexane; 1-phenylethanol; thiophosphate CAS Name: hexane; 1-phenylethanol; thiophosphate IUPAC Name: hexane; 1-phenylethanol; thiophosphate Traditional Name: n-hexane; 1-phenylethanol; thiophosphate Formula: C14H24O4PS-3 MolecularWeight: 319.376721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O.C6H14.H3O3PS/c1-7(9)8-5-3-2-4-6-8;1-3-5-6-4-2;1-4(2,3)5/h2-7,9H,1H3;3-6H2,1-2H3;(H3,1,2,3,5)/p-3