(Z)-but-2-enedioic acid; 5-[3-(4-methylsulfonylphenoxy)propyl]-1H-imidazole

Systemtic Name: (Z)-but-2-enedioic acid; 5-[3-(4-methylsulfonylphenoxy)propyl]-1H-imidazole Openeye Name: maleic acid; 5-[3-(4-methylsulfonylphenoxy)propyl]-1H-imidazole CAS Name: (Z)-2-butenedioic acid; 5-[3-(4-methylsulfonylphenoxy)propyl]-1H-imidazole IUPAC Name: (Z)-but-2-enedioic acid; 5-[3-(4-methylsulfonylphenoxy)propyl]-1H-imidazole Traditional Name: maleic acid; 5-[3-(4-mesylphenoxy)propyl]-1H-imidazole Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OCCCC2=CN=CN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OCCCC2=CN=CN2.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16N2O3S.C4H4O4/c1-19(16,17)13-6-4-12(5-7-13)18-8-2-3-11-9-14-10-15-11;5-3(6)1-2-4(7)8/h4-7,9-10H,2-3,8H2,1H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-