2-(1-methylimidazol-2-yl)sulfanyloctanoic acid

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyloctanoic acid Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyloctanoic acid CAS Name: 2-[(1-methyl-2-imidazolyl)thio]octanoic acid IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyloctanoic acid Traditional Name: 2-[(1-methylimidazol-2-yl)thio]caprylic acid Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC=CN1C

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC=CN1C

InChI

InChI=1S/C12H20N2O2S/c1-3-4-5-6-7-10(11(15)16)17-12-13-8-9-14(12)2/h8-10H,3-7H2,1-2H3,(H,15,16)