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2-(hexadecylsulfanylmethyl)penta-3,4-dien-1-ol; phosphoric acid

2-(hexadecylsulfanylmethyl)penta-3,4-dien-1-ol; phosphoric acid

Systemtic Name:2-(hexadecylsulfanylmethyl)penta-3,4-dien-1-ol; phosphoric acid
Openeye Name:2-(hexadecylsulfanylmethyl)penta-3,4-dien-1-ol; phosphoric acid
CAS Name:2-[(hexadecylthio)methyl]-1-penta-3,4-dienol; phosphoric acid
IUPAC Name:2-(hexadecylsulfanylmethyl)penta-3,4-dien-1-ol; phosphoric acid
Traditional Name:2-[(cetylthio)methyl]penta-3,4-dien-1-ol; phosphoric acid
Formula: C22H45O5PS
MolecularWeight: 452.628461
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H42OS.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/h18,22-23H,2-3,5-17,19-21H2,1H3;(H3,1,2,3,4)


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