2-(hexadecylsulfanylmethyl)-3-methyl-pent-4-yn-1-ol; phosphoric acid

Systemtic Name: 2-(hexadecylsulfanylmethyl)-3-methyl-pent-4-yn-1-ol; phosphoric acid Openeye Name: 2-(hexadecylsulfanylmethyl)-3-methyl-pent-4-yn-1-ol; phosphoric acid CAS Name: 2-[(hexadecylthio)methyl]-3-methyl-4-pentyn-1-ol; phosphoric acid IUPAC Name: 2-(hexadecylsulfanylmethyl)-3-methylpent-4-yn-1-ol; phosphoric acid Traditional Name: 2-[(cetylthio)methyl]-3-methyl-pent-4-yn-1-ol; phosphoric acid Formula: C23H47O5PS MolecularWeight: 466.655041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H44OS.H3O4P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-23(20-24)22(3)5-2;1-5(2,3)4/h2,22-24H,4,6-21H2,1,3H3;(H3,1,2,3,4)