sodium (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: sodium (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: sodium (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: sodium (E)-3-[4-(1-imidazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: sodium (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: sodium (E)-3-[4-(imidazol-1-ylmethyl)phenyl]acrylic acid Formula: C13H12N2NaO2+ MolecularWeight: 251.23635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=C2)/C=C/C(=O)O.[Na+]

InChI

InChI=1S/C13H12N2O2.Na/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);/q;+1/b6-5+;