3-(1-imidazol-1-yl-2-methyl-propyl)-1,2-benzoxazole; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-(1-imidazol-1-yl-2-methyl-propyl)-1,2-benzoxazole; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-(1-imidazol-1-yl-2-methyl-propyl)-1,2-benzoxazole CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[1-(1-imidazolyl)-2-methylpropyl]-1,2-benzoxazole IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-(1-imidazol-1-yl-2-methylpropyl)-1,2-benzoxazole Traditional Name: citric acid; 3-(1-imidazol-1-yl-2-methyl-propyl)indoxazene Formula: C20H23N3O8 MolecularWeight: 433.41192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NOC2=CC=CC=C21)N3C=CN=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)C(C1=NOC2=CC=CC=C21)N3C=CN=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H15N3O.C6H8O7/c1-10(2)14(17-8-7-15-9-17)13-11-5-3-4-6-12(11)18-16-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-10,14H,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)