[6-(hydroxymethyl)-3-octyl-4,5-bis(oxidanyl)oxan-2-yl]sulfanyloxy-phenyl-phosphinic acid

Systemtic Name: [6-(hydroxymethyl)-3-octyl-4,5-bis(oxidanyl)oxan-2-yl]sulfanyloxy-phenyl-phosphinic acid Openeye Name: [4,5-dihydroxy-6-(hydroxymethyl)-3-octyl-tetrahydropyran-2-yl]sulfanyloxy-phenyl-phosphinic acid CAS Name: [[4,5-dihydroxy-6-(hydroxymethyl)-3-octyl-2-oxanyl]thio]oxy-phenylphosphinic acid IUPAC Name: [4,5-dihydroxy-6-(hydroxymethyl)-3-octyloxan-2-yl]sulfanyloxy-phenylphosphinic acid Traditional Name: [(4,5-dihydroxy-6-methylol-3-octyl-tetrahydropyran-2-yl)thio]oxy-phenyl-phosphinic acid Formula: C20H33O7PS MolecularWeight: 448.510581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(C(OC1SOP(=O)(C2=CC=CC=C2)O)CO)O)O

Isomeric SMILES

CCCCCCCCC1C(C(C(OC1SOP(=O)(C2=CC=CC=C2)O)CO)O)O

InChI

InChI=1S/C20H33O7PS/c1-2-3-4-5-6-10-13-16-18(22)19(23)17(14-21)26-20(16)29-27-28(24,25)15-11-8-7-9-12-15/h7-9,11-12,16-23H,2-6,10,13-14H2,1H3,(H,24,25)