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

Systemtic Name: 2-[[(2S)-1-octadecoxy-3-oxidanyl-2-phenylmethoxy-propyl]sulfanyloxy-oxidanyl-phosphoryl]ethanoic acid Openeye Name: 2-[[(2S)-2-benzyloxy-3-hydroxy-1-octadecoxy-propyl]sulfanyloxy-hydroxy-phosphoryl]acetic acid CAS Name: 2-[hydroxy-[[(2S)-3-hydroxy-1-octadecoxy-2-phenylmethoxypropyl]thio]oxyphosphoryl]acetic acid IUPAC Name: 2-[hydroxy-[(2S)-3-hydroxy-1-octadecoxy-2-phenylmethoxypropyl]sulfanyloxyphosphoryl]acetic acid Traditional Name: 2-[[[(2S)-2-benzoxy-3-hydroxy-1-stearyloxy-propyl]thio]oxy-hydroxy-phosphoryl]acetic acid Formula: C30H53O8PS MolecularWeight: 604.775781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H53O8PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-36-30(40-38-39(34,35)26-29(32)33)28(24-31)37-25-27-21-18-17-19-22-27/h17-19,21-22,28,30-31H,2-16,20,23-26H2,1H3,(H,32,33)(H,34,35)/t28-,30?/m0/s1