sodium 2-[(E)-2-methyl-3-phenyl-prop-2-enoyl]phenolate

Systemtic Name: sodium 2-[(E)-2-methyl-3-phenyl-prop-2-enoyl]phenolate Openeye Name: sodium 2-[(E)-2-methyl-3-phenyl-prop-2-enoyl]phenolate CAS Name: sodium 2-[(E)-2-methyl-1-oxo-3-phenylprop-2-enyl]phenolate IUPAC Name: sodium 2-[(E)-2-methyl-3-phenylprop-2-enoyl]phenolate Traditional Name: sodium 2-[(E)-2-methyl-3-phenyl-acryloyl]phenolate Formula: C16H13NaO2 MolecularWeight: 260.26299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2[O-].[Na+]

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C(=O)C2=CC=CC=C2[O-].[Na+]

InChI

InChI=1S/C16H14O2.Na/c1-12(11-13-7-3-2-4-8-13)16(18)14-9-5-6-10-15(14)17;/h2-11,17H,1H3;/q;+1/p-1/b12-11+;