4-octadecylsulfanylbutan-2-ol; phosphoric acid

Systemtic Name: 4-octadecylsulfanylbutan-2-ol; phosphoric acid Openeye Name: 4-octadecylsulfanylbutan-2-ol; phosphoric acid CAS Name: 4-(octadecylthio)-2-butanol; phosphoric acid IUPAC Name: 4-octadecylsulfanylbutan-2-ol; phosphoric acid Traditional Name: phosphoric acid; 4-(stearylthio)butan-2-ol Formula: C22H49O5PS MolecularWeight: 456.660221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCC(C)O.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCC(C)O.OP(=O)(O)O

InChI

InChI=1S/C22H46OS.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22(2)23;1-5(2,3)4/h22-23H,3-21H2,1-2H3;(H3,1,2,3,4)