sodium 3-(4-butoxyphenyl)-3-phenyl-propanoate

Systemtic Name: sodium 3-(4-butoxyphenyl)-3-phenyl-propanoate Openeye Name: sodium 3-(4-butoxyphenyl)-3-phenyl-propanoate CAS Name: sodium 3-(4-butoxyphenyl)-3-phenylpropanoate IUPAC Name: sodium 3-(4-butoxyphenyl)-3-phenylpropanoate Traditional Name: sodium 3-(4-butoxyphenyl)-3-phenyl-propionate Formula: C19H21NaO3 MolecularWeight: 320.35801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(CC(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C19H22O3.Na/c1-2-3-13-22-17-11-9-16(10-12-17)18(14-19(20)21)15-7-5-4-6-8-15;/h4-12,18H,2-3,13-14H2,1H3,(H,20,21);/q;+1/p-1