3-(4,4-dimethyl-5-oxidanylidene-2-propyl-imidazol-1-yl)-2-methyl-6-(3-methylphenyl)benzenesulfinic acid

Systemtic Name: 3-(4,4-dimethyl-5-oxidanylidene-2-propyl-imidazol-1-yl)-2-methyl-6-(3-methylphenyl)benzenesulfinic acid Openeye Name: 3-(4,4-dimethyl-5-oxo-2-propyl-imidazol-1-yl)-2-methyl-6-(m-tolyl)benzenesulfinic acid CAS Name: 3-(4,4-dimethyl-5-oxo-2-propyl-1-imidazolyl)-2-methyl-6-(3-methylphenyl)benzenesulfinic acid IUPAC Name: 3-(4,4-dimethyl-5-oxo-2-propylimidazol-1-yl)-2-methyl-6-(3-methylphenyl)benzenesulfinic acid Traditional Name: 3-(5-keto-4,4-dimethyl-2-propyl-2-imidazolin-1-yl)-2-methyl-6-(m-tolyl)benzenesulfinic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(C(=O)N1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)S(=O)O)C)(C)C

Isomeric SMILES

CCCC1=NC(C(=O)N1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)S(=O)O)C)(C)C

InChI

InChI=1S/C22H26N2O3S/c1-6-8-19-23-22(4,5)21(25)24(19)18-12-11-17(20(15(18)3)28(26)27)16-10-7-9-14(2)13-16/h7,9-13H,6,8H2,1-5H3,(H,26,27)