potassium; sodium; N-(4-ethoxyphenyl)ethanamide; hydrogen carbonate; N-(4-hydroxyphenyl)ethanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid; 1,3,7-trimethylpurine-2,6-dione; bromide

Systemtic Name: potassium; sodium; N-(4-ethoxyphenyl)ethanamide; hydrogen carbonate; N-(4-hydroxyphenyl)ethanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid; 1,3,7-trimethylpurine-2,6-dione; bromide Openeye Name: potassium; sodium; citric acid; N-(4-ethoxyphenyl)acetamide; hydrogen carbonate; N-(4-hydroxyphenyl)acetamide; 1,3,7-trimethylpurine-2,6-dione; bromide CAS Name: potassium; sodium; N-(4-ethoxyphenyl)acetamide; hydrogen carbonate; N-(4-hydroxyphenyl)acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid; 1,3,7-trimethylpurine-2,6-dione; bromide IUPAC Name: potassium; sodium; N-(4-ethoxyphenyl)acetamide; hydrogen carbonate; N-(4-hydroxyphenyl)acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid; 1,3,7-trimethylpurine-2,6-dione; bromide Traditional Name: potassium; sodium; caffeine; citric acid; N-(4-hydroxyphenyl)acetamide; N-p-phenetylacetamide; bicarbonate; bromide Formula: C33H41BrKN6NaO16 MolecularWeight: 919.70131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C.CC(=O)NC1=CC=C(C=C1)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(=O)(O)[O-].[Na+].[K+].[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C.CC(=O)NC1=CC=C(C=C1)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(=O)(O)[O-].[Na+].[K+].[Br-]

InChI

InChI=1S/C10H13NO2.C8H10N4O2.C8H9NO2.C6H8O7.CH2O3.BrH.K.Na/c1-3-13-10-6-4-9(5-7-10)11-8(2)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-6(10)9-7-2-4-8(11)5-3-7;7-3(8)1-6(13,5(11)12)2-4(9)10;2-1(3)4;;;/h4-7H,3H2,1-2H3,(H,11,12);4H,1-3H3;2-5,11H,1H3,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H2,2,3,4);1H;;/q;;;;;;2*+1/p-2