methyl 2-(2-methyl-3-oxidanyl-propyl)sulfanyloctadecanoate; phosphoric acid

Systemtic Name: methyl 2-(2-methyl-3-oxidanyl-propyl)sulfanyloctadecanoate; phosphoric acid Openeye Name: methyl 2-(3-hydroxy-2-methyl-propyl)sulfanyloctadecanoate; phosphoric acid CAS Name: 2-[(3-hydroxy-2-methylpropyl)thio]octadecanoic acid methyl ester; phosphoric acid IUPAC Name: methyl 2-(3-hydroxy-2-methylpropyl)sulfanyloctadecanoate; phosphoric acid Traditional Name: 2-[(3-hydroxy-2-methyl-propyl)thio]stearic acid methyl ester; phosphoric acid Formula: C23H49O7PS MolecularWeight: 500.669721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)OC)SCC(C)CO.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)OC)SCC(C)CO.OP(=O)(O)O

InChI

InChI=1S/C23H46O3S.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23(25)26-3)27-20-21(2)19-24;1-5(2,3)4/h21-22,24H,4-20H2,1-3H3;(H3,1,2,3,4)