hex-5-ene-1,2,3-triol; phosphoric acid; hydrate

Systemtic Name: hex-5-ene-1,2,3-triol; phosphoric acid; hydrate Openeye Name: hex-5-ene-1,2,3-triol; phosphoric acid; hydrate CAS Name: 5-hexene-1,2,3-triol; phosphoric acid; hydrate IUPAC Name: hex-5-ene-1,2,3-triol; phosphoric acid; hydrate Traditional Name: hex-5-ene-1,2,3-triol; phosphoric acid; hydrate Formula: C6H17O8P MolecularWeight: 248.168141

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CO)O)O.O.OP(=O)(O)O

Isomeric SMILES

C=CCC(C(CO)O)O.O.OP(=O)(O)O

InChI

InChI=1S/C6H12O3.H3O4P.H2O/c1-2-3-5(8)6(9)4-7;1-5(2,3)4;/h2,5-9H,1,3-4H2;(H3,1,2,3,4);1H2