2-(octadecylsulfanylmethyl)prop-2-en-1-ol; phosphoric acid

Systemtic Name: 2-(octadecylsulfanylmethyl)prop-2-en-1-ol; phosphoric acid Openeye Name: 2-(octadecylsulfanylmethyl)prop-2-en-1-ol; phosphoric acid CAS Name: 2-[(octadecylthio)methyl]-2-propen-1-ol; phosphoric acid IUPAC Name: 2-(octadecylsulfanylmethyl)prop-2-en-1-ol; phosphoric acid Traditional Name: phosphoric acid; 2-[(stearylthio)methyl]prop-2-en-1-ol Formula: C22H47O5PS MolecularWeight: 454.644341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(=C)CO.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(=C)CO.OP(=O)(O)O

InChI

InChI=1S/C22H44OS.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-22(2)20-23;1-5(2,3)4/h23H,2-21H2,1H3;(H3,1,2,3,4)