3-hexadecylsulfanyl-2-methylsulfinyl-propan-1-ol; phosphoric acid

Systemtic Name: 3-hexadecylsulfanyl-2-methylsulfinyl-propan-1-ol; phosphoric acid Openeye Name: 3-hexadecylsulfanyl-2-methylsulfinyl-propan-1-ol; phosphoric acid CAS Name: 3-(hexadecylthio)-2-methylsulfinyl-1-propanol; phosphoric acid IUPAC Name: 3-hexadecylsulfanyl-2-methylsulfinylpropan-1-ol; phosphoric acid Traditional Name: 3-(cetylthio)-2-methylsulfinyl-propan-1-ol; phosphoric acid Formula: C20H45O6PS2 MolecularWeight: 476.671461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)S(=O)C.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)S(=O)C.OP(=O)(O)O

InChI

InChI=1S/C20H42O2S2.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)24(2)22;1-5(2,3)4/h20-21H,3-19H2,1-2H3;(H3,1,2,3,4)