(E)-2-(hexadecylsulfanylmethyl)but-2-en-1-ol; phosphoric acid

Systemtic Name: (E)-2-(hexadecylsulfanylmethyl)but-2-en-1-ol; phosphoric acid Openeye Name: (E)-2-(hexadecylsulfanylmethyl)but-2-en-1-ol; phosphoric acid CAS Name: (E)-2-[(hexadecylthio)methyl]-2-buten-1-ol; phosphoric acid IUPAC Name: (E)-2-(hexadecylsulfanylmethyl)but-2-en-1-ol; phosphoric acid Traditional Name: (E)-2-[(cetylthio)methyl]but-2-en-1-ol; phosphoric acid Formula: C21H45O5PS MolecularWeight: 440.617761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCSC/C(=C/C)/CO.OP(=O)(O)O

InChI

InChI=1S/C21H42OS.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21(4-2)19-22;1-5(2,3)4/h4,22H,3,5-20H2,1-2H3;(H3,1,2,3,4)/b21-4+;