sodium 2-decoxycarbonylbenzoate

Systemtic Name: sodium 2-decoxycarbonylbenzoate Openeye Name: sodium 2-decoxycarbonylbenzoate CAS Name: sodium 2-[decoxy(oxo)methyl]benzoate IUPAC Name: sodium 2-decoxycarbonylbenzoate Traditional Name: sodium 2-decoxycarbonylbenzoate Formula: C18H25NaO4 MolecularWeight: 328.37847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4.Na/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20;/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20);/q;+1/p-1