[[(2S)-1-octadecoxy-2,3-bis(oxidanyl)propyl]sulfanyloxy-oxidanyl-phosphoryl]methanoic acid

Systemtic Name: [[(2S)-1-octadecoxy-2,3-bis(oxidanyl)propyl]sulfanyloxy-oxidanyl-phosphoryl]methanoic acid Openeye Name: [[(2S)-2,3-dihydroxy-1-octadecoxy-propyl]sulfanyloxy-hydroxy-phosphoryl]formic acid CAS Name: [[[(2S)-2,3-dihydroxy-1-octadecoxypropyl]thio]oxy-hydroxyphosphoryl]formic acid IUPAC Name: [[(2S)-2,3-dihydroxy-1-octadecoxypropyl]sulfanyloxy-hydroxyphosphoryl]formic acid Traditional Name: [[[(2S)-2,3-dihydroxy-1-stearyloxy-propyl]thio]oxy-hydroxy-phosphoryl]formic acid Formula: C22H45O8PS MolecularWeight: 500.626661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C(CO)O)SOP(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC([C@H](CO)O)SOP(=O)(C(=O)O)O

InChI

InChI=1S/C22H45O8PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(20(24)19-23)32-30-31(27,28)22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)(H,27,28)/t20-,21?/m0/s1