2-(2-dodecylphenyl)-2-(1,4,5-trimethylimidazol-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-(2-dodecylphenyl)-2-(1,4,5-trimethylimidazol-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-(2-dodecylphenyl)-2-(1,4,5-trimethylimidazol-2-yl)sulfanyl-acetic acid CAS Name: 2-(2-dodecylphenyl)-2-[(1,4,5-trimethyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(2-dodecylphenyl)-2-(1,4,5-trimethylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-(2-laurylphenyl)-2-[(1,4,5-trimethylimidazol-2-yl)thio]acetic acid Formula: C26H40N2O2S MolecularWeight: 444.673

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC2=NC(=C(N2C)C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC2=NC(=C(N2C)C)C

InChI

InChI=1S/C26H40N2O2S/c1-5-6-7-8-9-10-11-12-13-14-17-22-18-15-16-19-23(22)24(25(29)30)31-26-27-20(2)21(3)28(26)4/h15-16,18-19,24H,5-14,17H2,1-4H3,(H,29,30)