sodium; dihydrogen phosphate; 2-methyl-4H-imidazole; 2-phenylbenzoic acid

Systemtic Name: sodium; dihydrogen phosphate; 2-methyl-4H-imidazole; 2-phenylbenzoic acid Openeye Name: sodium; dihydrogen phosphate; 2-methyl-4H-imidazole; 2-phenylbenzoic acid CAS Name: sodium; dihydrogen phosphate; 2-methyl-4H-imidazole; 2-phenylbenzoic acid IUPAC Name: sodium; dihydrogen phosphate; 2-methyl-4H-imidazole; 2-phenylbenzoic acid Traditional Name: sodium; dihydrogen phosphate; 2-methyl-4H-imidazole; 2-phenylbenzoic acid Formula: C17H18N2NaO6P MolecularWeight: 400.298151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC=N1.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O.OP(=O)(O)[O-].[Na+]

Isomeric SMILES

CC1=NCC=N1.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O.OP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C13H10O2.C4H6N2.Na.H3O4P/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-4-5-2-3-6-4;;1-5(2,3)4/h1-9H,(H,14,15);2H,3H2,1H3;;(H3,1,2,3,4)/q;;+1;/p-1