sodium 2-tridecoxycarbonylbenzoate

Systemtic Name: sodium 2-tridecoxycarbonylbenzoate Openeye Name: sodium 2-tridecoxycarbonylbenzoate CAS Name: sodium 2-[oxo(tridecoxy)methyl]benzoate IUPAC Name: sodium 2-tridecoxycarbonylbenzoate Traditional Name: sodium 2-tridecoxycarbonylbenzoate Formula: C21H31NaO4 MolecularWeight: 370.45821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4.Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-25-21(24)19-16-13-12-15-18(19)20(22)23;/h12-13,15-16H,2-11,14,17H2,1H3,(H,22,23);/q;+1/p-1