2-methoxy-3-[(9E,12E)-octadeca-9,12-dienyl]sulfanyl-propan-1-ol; phosphoric acid

Systemtic Name: 2-methoxy-3-[(9E,12E)-octadeca-9,12-dienyl]sulfanyl-propan-1-ol; phosphoric acid Openeye Name: 2-methoxy-3-[(9E,12E)-octadeca-9,12-dienyl]sulfanyl-propan-1-ol; phosphoric acid CAS Name: 2-methoxy-3-[[(9E,12E)-octadeca-9,12-dienyl]thio]-1-propanol; phosphoric acid IUPAC Name: 2-methoxy-3-[(9E,12E)-octadeca-9,12-dienyl]sulfanylpropan-1-ol; phosphoric acid Traditional Name: 2-methoxy-3-[[(9E,12E)-octadeca-9,12-dienyl]thio]propan-1-ol; phosphoric acid Formula: C22H45O6PS MolecularWeight: 468.627861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCSCC(CO)OC.OP(=O)(O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCSCC(CO)OC.OP(=O)(O)O

InChI

InChI=1S/C22H42O2S.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-22(20-23)24-2;1-5(2,3)4/h7-8,10-11,22-23H,3-6,9,12-21H2,1-2H3;(H3,1,2,3,4)/b8-7+,11-10+;