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

Systemtic Name: 2-(2-dodecylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-(2-dodecylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-acetic acid CAS Name: 2-(2-dodecylphenyl)-2-[(1-methyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(2-dodecylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-(2-laurylphenyl)-2-[(1-methylimidazol-2-yl)thio]acetic acid Formula: C24H36N2O2S MolecularWeight: 416.61984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC2=NC=CN2C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC2=NC=CN2C

InChI

InChI=1S/C24H36N2O2S/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-14-17-21(20)22(23(27)28)29-24-25-18-19-26(24)2/h13-14,16-19,22H,3-12,15H2,1-2H3,(H,27,28)