hexane; hexan-1-ol; thiophosphate

Systemtic Name: hexane; hexan-1-ol; thiophosphate Openeye Name: hexane; hexan-1-ol; thiophosphate CAS Name: hexane; 1-hexanol; thiophosphate IUPAC Name: hexane; hexan-1-ol; thiophosphate Traditional Name: hexan-1-ol; n-hexane; thiophosphate Formula: C12H28O4PS-3 MolecularWeight: 299.387081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CCCCCCO.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CCCCCC.CCCCCCO.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C6H14O.C6H14.H3O3PS/c1-2-3-4-5-6-7;1-3-5-6-4-2;1-4(2,3)5/h7H,2-6H2,1H3;3-6H2,1-2H3;(H3,1,2,3,5)/p-3