2-butyl-6-ethoxycarbonyl-benzoate

Systemtic Name: 2-butyl-6-ethoxycarbonyl-benzoate Openeye Name: 2-butyl-6-ethoxycarbonyl-benzoate CAS Name: 2-butyl-6-ethoxycarbonylbenzoate IUPAC Name: 2-butyl-6-ethoxycarbonylbenzoate Traditional Name: 2-butyl-6-carbethoxy-benzoate Formula: C14H17O4- MolecularWeight: 249.28238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C(=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCC1=CC=CC(=C1C(=O)[O-])C(=O)OCC

InChI

InChI=1S/C14H18O4/c1-3-5-7-10-8-6-9-11(12(10)13(15)16)14(17)18-4-2/h6,8-9H,3-5,7H2,1-2H3,(H,15,16)/p-1