sodium 2-(2-ethylhexoxycarbonyl)benzoate

Systemtic Name: sodium 2-(2-ethylhexoxycarbonyl)benzoate Openeye Name: sodium 2-(2-ethylhexoxycarbonyl)benzoate CAS Name: sodium 2-[2-ethylhexoxy(oxo)methyl]benzoate IUPAC Name: sodium 2-(2-ethylhexoxycarbonyl)benzoate Traditional Name: sodium 2-(2-ethylhexoxycarbonyl)benzoate Formula: C16H21NaO4 MolecularWeight: 300.32531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

InChI

InChI=1S/C16H22O4.Na/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18;/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18);/q;+1/p-1