2-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[(4-hydroxyphenyl)methyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-hydroxybenzyl)imidazol-2-yl]thio]acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=C2SCC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=C2SCC(=O)O)O

InChI

InChI=1S/C12H12N2O3S/c15-10-3-1-9(2-4-10)7-14-6-5-13-12(14)18-8-11(16)17/h1-6,15H,7-8H2,(H,16,17)