3-ethoxy-5-(4-ethylphenyl)-2-hexyl-4-[2-(4-methylphenyl)sulfanylethyl]-2H-1,3-oxazole; N-methylbutan-1-amine; phosphate

Systemtic Name: 3-ethoxy-5-(4-ethylphenyl)-2-hexyl-4-[2-(4-methylphenyl)sulfanylethyl]-2H-1,3-oxazole; N-methylbutan-1-amine; phosphate Openeye Name: 3-ethoxy-5-(4-ethylphenyl)-2-hexyl-4-[2-(p-tolylsulfanyl)ethyl]-2H-oxazole; N-methylbutan-1-amine; phosphate CAS Name: 3-ethoxy-5-(4-ethylphenyl)-2-hexyl-4-[2-[(4-methylphenyl)thio]ethyl]-2H-oxazole; N-methyl-1-butanamine; phosphate IUPAC Name: 3-ethoxy-5-(4-ethylphenyl)-2-hexyl-4-[2-(4-methylphenyl)sulfanylethyl]-2H-1,3-oxazole; N-methylbutan-1-amine; phosphate Traditional Name: butyl(methyl)amine; 3-ethoxy-5-(4-ethylphenyl)-2-hexyl-4-[2-(p-tolylthio)ethyl]-4-oxazoline; phosphate Formula: C33H52N2O6PS-3 MolecularWeight: 635.814541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1N(C(=C(O1)C2=CC=C(C=C2)CC)CCSC3=CC=C(C=C3)C)OCC.CCCCNC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCC1N(C(=C(O1)C2=CC=C(C=C2)CC)CCSC3=CC=C(C=C3)C)OCC.CCCCNC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C28H39NO2S.C5H13N.H3O4P/c1-5-8-9-10-11-27-29(30-7-3)26(20-21-32-25-18-12-22(4)13-19-25)28(31-27)24-16-14-23(6-2)15-17-24;1-3-4-5-6-2;1-5(2,3)4/h12-19,27H,5-11,20-21H2,1-4H3;6H,3-5H2,1-2H3;(H3,1,2,3,4)/p-3