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

Systemtic Name: 2-[[(2S)-1-octadecoxy-2,3-bis(oxidanyl)propyl]sulfanyloxy-oxidanyl-phosphoryl]ethanoic acid Openeye Name: 2-[[(2S)-2,3-dihydroxy-1-octadecoxy-propyl]sulfanyloxy-hydroxy-phosphoryl]acetic acid CAS Name: 2-[[[(2S)-2,3-dihydroxy-1-octadecoxypropyl]thio]oxy-hydroxyphosphoryl]acetic acid IUPAC Name: 2-[[(2S)-2,3-dihydroxy-1-octadecoxypropyl]sulfanyloxy-hydroxyphosphoryl]acetic acid Traditional Name: 2-[[[(2S)-2,3-dihydroxy-1-stearyloxy-propyl]thio]oxy-hydroxy-phosphoryl]acetic acid Formula: C23H47O8PS MolecularWeight: 514.653241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H47O8PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-23(21(25)19-24)33-31-32(28,29)20-22(26)27/h21,23-25H,2-20H2,1H3,(H,26,27)(H,28,29)/t21-,23?/m0/s1