sodium; [3,4,5-tris(oxidanyl)-6-propoxy-oxan-2-yl]methanesulfonic acid

Systemtic Name: sodium; [3,4,5-tris(oxidanyl)-6-propoxy-oxan-2-yl]methanesulfonic acid Openeye Name: sodium; (3,4,5-trihydroxy-6-propoxy-tetrahydropyran-2-yl)methanesulfonic acid CAS Name: sodium; (3,4,5-trihydroxy-6-propoxy-2-oxanyl)methanesulfonic acid IUPAC Name: sodium; (3,4,5-trihydroxy-6-propoxyoxan-2-yl)methanesulfonic acid Traditional Name: sodium; (3,4,5-trihydroxy-6-propoxy-tetrahydropyran-2-yl)methanesulfonic acid Formula: C18H36NaO16S2 MolecularWeight: 595.58861

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.CCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.[Na]

Isomeric SMILES

CCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.CCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.[Na]

InChI

InChI=1S/2C9H18O8S.Na/c2*1-2-3-16-9-8(12)7(11)6(10)5(17-9)4-18(13,14)15;/h2*5-12H,2-4H2,1H3,(H,13,14,15);