methyl 2-(hexadecylsulfanylmethyl)-2-methyl-3-oxidanyl-propanoate; phosphoric acid

Systemtic Name: methyl 2-(hexadecylsulfanylmethyl)-2-methyl-3-oxidanyl-propanoate; phosphoric acid Openeye Name: methyl 2-(hexadecylsulfanylmethyl)-3-hydroxy-2-methyl-propanoate; phosphoric acid CAS Name: 2-[(hexadecylthio)methyl]-3-hydroxy-2-methylpropanoic acid methyl ester; phosphoric acid IUPAC Name: methyl 2-(hexadecylsulfanylmethyl)-3-hydroxy-2-methylpropanoate; phosphoric acid Traditional Name: 2-[(cetylthio)methyl]-3-hydroxy-2-methyl-propionic acid methyl ester; phosphoric acid Formula: C22H47O7PS MolecularWeight: 486.643141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44O3S.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-20-22(2,19-23)21(24)25-3;1-5(2,3)4/h23H,4-20H2,1-3H3;(H3,1,2,3,4)