sodium 2-octoxycarbonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4.Na/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18;/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18);/q;+1/p-1