6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-phenoxy-oxane-2-thiolate tetraethanoate

Systemtic Name: 6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-phenoxy-oxane-2-thiolate tetraethanoate Openeye Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-phenoxy-tetrahydropyran-2-thiolate tetraacetate CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-phenoxy-2-oxanethiolate tetraacetate IUPAC Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-phenoxyoxane-2-thiolate tetraacetate Traditional Name: 4,5-dihydroxy-6-methylol-3-phenoxy-tetrahydropyran-2-thiolate tetraacetate Formula: C20H27O13S-5 MolecularWeight: 507.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)OC2C(C(C(OC2[S-])CO)O)O

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)OC2C(C(C(OC2[S-])CO)O)O

InChI

InChI=1S/C12H16O5S.4C2H4O2/c13-6-8-9(14)10(15)11(12(18)17-8)16-7-4-2-1-3-5-7;4*1-2(3)4/h1-5,8-15,18H,6H2;4*1H3,(H,3,4)/p-5