2-(2-dodecylphenyl)-2-(1-prop-2-enylimidazol-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-(2-dodecylphenyl)-2-(1-prop-2-enylimidazol-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-(1-allylimidazol-2-yl)sulfanyl-2-(2-dodecylphenyl)acetic acid CAS Name: 2-(2-dodecylphenyl)-2-[(1-prop-2-enyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(2-dodecylphenyl)-2-(1-prop-2-enylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-allylimidazol-2-yl)thio]-2-(2-laurylphenyl)acetic acid Formula: C26H38N2O2S MolecularWeight: 442.65712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O2S/c1-3-5-6-7-8-9-10-11-12-13-16-22-17-14-15-18-23(22)24(25(29)30)31-26-27-19-21-28(26)20-4-2/h4,14-15,17-19,21,24H,2-3,5-13,16,20H2,1H3,(H,29,30)