2-(hexadecylsulfanylmethyl)pent-4-en-1-ol; phosphoric acid

Systemtic Name: 2-(hexadecylsulfanylmethyl)pent-4-en-1-ol; phosphoric acid Openeye Name: 2-(hexadecylsulfanylmethyl)pent-4-en-1-ol; phosphoric acid CAS Name: 2-[(hexadecylthio)methyl]-4-penten-1-ol; phosphoric acid IUPAC Name: 2-(hexadecylsulfanylmethyl)pent-4-en-1-ol; phosphoric acid Traditional Name: 2-[(cetylthio)methyl]pent-4-en-1-ol; phosphoric acid Formula: C22H47O5PS MolecularWeight: 454.644341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44OS.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22(20-23)18-4-2;1-5(2,3)4/h4,22-23H,2-3,5-21H2,1H3;(H3,1,2,3,4)