sodium (E)-3-methyl-4-phenyl-but-3-enoic acid

Systemtic Name: sodium (E)-3-methyl-4-phenyl-but-3-enoic acid Openeye Name: sodium (E)-3-methyl-4-phenyl-but-3-enoic acid CAS Name: sodium (E)-3-methyl-4-phenyl-3-butenoic acid IUPAC Name: sodium (E)-3-methyl-4-phenylbut-3-enoic acid Traditional Name: sodium (E)-3-methyl-4-phenyl-but-3-enoic acid Formula: C11H12NaO2+ MolecularWeight: 199.20155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O2.Na/c1-9(8-11(12)13)7-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H,12,13);/q;+1/b9-7+;