2-(2-dodecylphenyl)-2-(1-ethylimidazol-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-(2-dodecylphenyl)-2-(1-ethylimidazol-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-(2-dodecylphenyl)-2-(1-ethylimidazol-2-yl)sulfanyl-acetic acid CAS Name: 2-(2-dodecylphenyl)-2-[(1-ethyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(2-dodecylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-ethylimidazol-2-yl)thio]-2-(2-laurylphenyl)acetic acid Formula: C25H38N2O2S MolecularWeight: 430.64642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC2=NC=CN2CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC2=NC=CN2CC

InChI

InChI=1S/C25H38N2O2S/c1-3-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)23(24(28)29)30-25-26-19-20-27(25)4-2/h14-15,17-20,23H,3-13,16H2,1-2H3,(H,28,29)