3-azanyl-2-(hexadecylsulfanylmethyl)butan-1-ol; phosphoric acid

Systemtic Name: 3-azanyl-2-(hexadecylsulfanylmethyl)butan-1-ol; phosphoric acid Openeye Name: 3-amino-2-(hexadecylsulfanylmethyl)butan-1-ol; phosphoric acid CAS Name: 3-amino-2-[(hexadecylthio)methyl]-1-butanol; phosphoric acid IUPAC Name: 3-amino-2-(hexadecylsulfanylmethyl)butan-1-ol; phosphoric acid Traditional Name: 3-amino-2-[(cetylthio)methyl]butan-1-ol; phosphoric acid Formula: C21H48NO5PS MolecularWeight: 457.648281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45NOS.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-23)20(2)22;1-5(2,3)4/h20-21,23H,3-19,22H2,1-2H3;(H3,1,2,3,4)