4-octadecylsulfanylpentan-2-ol; phosphoric acid

Systemtic Name: 4-octadecylsulfanylpentan-2-ol; phosphoric acid Openeye Name: 4-octadecylsulfanylpentan-2-ol; phosphoric acid CAS Name: 4-(octadecylthio)-2-pentanol; phosphoric acid IUPAC Name: 4-octadecylsulfanylpentan-2-ol; phosphoric acid Traditional Name: phosphoric acid; 4-(stearylthio)pentan-2-ol Formula: C23H51O5PS MolecularWeight: 470.686801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(C)CC(C)O.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(C)CC(C)O.OP(=O)(O)O

InChI

InChI=1S/C23H48OS.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(3)21-22(2)24;1-5(2,3)4/h22-24H,4-21H2,1-3H3;(H3,1,2,3,4)