2-(hexadecylsulfanylmethyl)-3-methylsulfinyl-propan-1-ol; phosphoric acid

Systemtic Name: 2-(hexadecylsulfanylmethyl)-3-methylsulfinyl-propan-1-ol; phosphoric acid Openeye Name: 2-(hexadecylsulfanylmethyl)-3-methylsulfinyl-propan-1-ol; phosphoric acid CAS Name: 2-[(hexadecylthio)methyl]-3-methylsulfinyl-1-propanol; phosphoric acid IUPAC Name: 2-(hexadecylsulfanylmethyl)-3-methylsulfinylpropan-1-ol; phosphoric acid Traditional Name: 2-[(cetylthio)methyl]-3-methylsulfinyl-propan-1-ol; phosphoric acid Formula: C21H47O6PS2 MolecularWeight: 490.698041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H44O2S2.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)20-25(2)23;1-5(2,3)4/h21-22H,3-20H2,1-2H3;(H3,1,2,3,4)