2-ethoxycarbonyl-6-propyl-benzoic acid

Systemtic Name: 2-ethoxycarbonyl-6-propyl-benzoic acid Openeye Name: 2-ethoxycarbonyl-6-propyl-benzoic acid CAS Name: 2-ethoxycarbonyl-6-propylbenzoic acid IUPAC Name: 2-ethoxycarbonyl-6-propylbenzoic acid Traditional Name: 2-carbethoxy-6-propyl-benzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1C(=O)O)C(=O)OCC

Isomeric SMILES

CCCC1=CC=CC(=C1C(=O)O)C(=O)OCC

InChI

InChI=1S/C13H16O4/c1-3-6-9-7-5-8-10(11(9)12(14)15)13(16)17-4-2/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)