1-butyl-3-[11-(2-methyl-3-oxidanyl-propyl)sulfanylundecyl]urea; phosphoric acid

Systemtic Name: 1-butyl-3-[11-(2-methyl-3-oxidanyl-propyl)sulfanylundecyl]urea; phosphoric acid Openeye Name: 1-butyl-3-[11-(3-hydroxy-2-methyl-propyl)sulfanylundecyl]urea; phosphoric acid CAS Name: 1-butyl-3-[11-[(3-hydroxy-2-methylpropyl)thio]undecyl]urea; phosphoric acid IUPAC Name: 1-butyl-3-[11-(3-hydroxy-2-methylpropyl)sulfanylundecyl]urea; phosphoric acid Traditional Name: 1-butyl-3-[11-[(3-hydroxy-2-methyl-propyl)thio]undecyl]urea; phosphoric acid Formula: C20H45N2O6PS MolecularWeight: 472.619861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCCCCCCCCCCCSCC(C)CO.OP(=O)(O)O

Isomeric SMILES

CCCCNC(=O)NCCCCCCCCCCCSCC(C)CO.OP(=O)(O)O

InChI

InChI=1S/C20H42N2O2S.H3O4P/c1-3-4-14-21-20(24)22-15-12-10-8-6-5-7-9-11-13-16-25-18-19(2)17-23;1-5(2,3)4/h19,23H,3-18H2,1-2H3,(H2,21,22,24);(H3,1,2,3,4)