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3-hexadecylsulfanyl-2-phenyl-propan-1-ol; phosphoric acid

3-hexadecylsulfanyl-2-phenyl-propan-1-ol; phosphoric acid

Systemtic Name:3-hexadecylsulfanyl-2-phenyl-propan-1-ol; phosphoric acid
Openeye Name:3-hexadecylsulfanyl-2-phenyl-propan-1-ol; phosphoric acid
CAS Name:3-(hexadecylthio)-2-phenyl-1-propanol; phosphoric acid
IUPAC Name:3-hexadecylsulfanyl-2-phenylpropan-1-ol; phosphoric acid
Traditional Name:3-(cetylthio)-2-phenyl-propan-1-ol; phosphoric acid
Formula: C25H47O5PS
MolecularWeight: 490.676441
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)C1=CC=CC=C1.OP(=O)(O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)C1=CC=CC=C1.OP(=O)(O)O


InChI

InChI=1S/C25H44OS.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-23-25(22-26)24-19-16-15-17-20-24;1-5(2,3)4/h15-17,19-20,25-26H,2-14,18,21-23H2,1H3;(H3,1,2,3,4)


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