4-hexadecylsulfanylbutan-2-ol; phosphoric acid

Systemtic Name: 4-hexadecylsulfanylbutan-2-ol; phosphoric acid Openeye Name: 4-hexadecylsulfanylbutan-2-ol; phosphoric acid CAS Name: 4-(hexadecylthio)-2-butanol; phosphoric acid IUPAC Name: 4-hexadecylsulfanylbutan-2-ol; phosphoric acid Traditional Name: 4-(cetylthio)butan-2-ol; phosphoric acid Formula: C20H45O5PS MolecularWeight: 428.607061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCC(C)O.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCC(C)O.OP(=O)(O)O

InChI

InChI=1S/C20H42OS.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20(2)21;1-5(2,3)4/h20-21H,3-19H2,1-2H3;(H3,1,2,3,4)