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

Systemtic Name: [[(2S)-1-octadecoxy-3-oxidanyl-2-phenylmethoxy-propyl]sulfanyloxy-oxidanyl-phosphoryl]methanoic acid Openeye Name: [[(2S)-2-benzyloxy-3-hydroxy-1-octadecoxy-propyl]sulfanyloxy-hydroxy-phosphoryl]formic acid CAS Name: [hydroxy-[[(2S)-3-hydroxy-1-octadecoxy-2-phenylmethoxypropyl]thio]oxyphosphoryl]formic acid IUPAC Name: [hydroxy-[(2S)-3-hydroxy-1-octadecoxy-2-phenylmethoxypropyl]sulfanyloxyphosphoryl]formic acid Traditional Name: [[[(2S)-2-benzoxy-3-hydroxy-1-stearyloxy-propyl]thio]oxy-hydroxy-phosphoryl]formic acid Formula: C29H51O8PS MolecularWeight: 590.749201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C(CO)OCC1=CC=CC=C1)SOP(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC([C@H](CO)OCC1=CC=CC=C1)SOP(=O)(C(=O)O)O

InChI

InChI=1S/C29H51O8PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-35-28(39-37-38(33,34)29(31)32)27(24-30)36-25-26-21-18-17-19-22-26/h17-19,21-22,27-28,30H,2-16,20,23-25H2,1H3,(H,31,32)(H,33,34)/t27-,28?/m0/s1