2-methoxy-3-[8-(4-octylphenyl)octylsulfanyl]propan-1-ol; phosphoric acid

Systemtic Name: 2-methoxy-3-[8-(4-octylphenyl)octylsulfanyl]propan-1-ol; phosphoric acid Openeye Name: 2-methoxy-3-[8-(4-octylphenyl)octylsulfanyl]propan-1-ol; phosphoric acid CAS Name: 2-methoxy-3-[8-(4-octylphenyl)octylthio]-1-propanol; phosphoric acid IUPAC Name: 2-methoxy-3-[8-(4-octylphenyl)octylsulfanyl]propan-1-ol; phosphoric acid Traditional Name: 2-methoxy-3-[8-(4-octylphenyl)octylthio]propan-1-ol; phosphoric acid Formula: C26H49O6PS MolecularWeight: 520.702421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCCCCCCCSCC(CO)OC.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCCCCCCCSCC(CO)OC.OP(=O)(O)O

InChI

InChI=1S/C26H46O2S.H3O4P/c1-3-4-5-6-9-12-15-24-17-19-25(20-18-24)16-13-10-7-8-11-14-21-29-23-26(22-27)28-2;1-5(2,3)4/h17-20,26-27H,3-16,21-23H2,1-2H3;(H3,1,2,3,4)