3-[(2R)-2-carboxylatohex-5-enyl]benzoate

Systemtic Name: 3-[(2R)-2-carboxylatohex-5-enyl]benzoate Openeye Name: 3-[(2R)-2-carboxylatohex-5-enyl]benzoate CAS Name: 3-[(2R)-2-carboxylatohex-5-enyl]benzoate IUPAC Name: 3-[(2R)-2-carboxylatohex-5-enyl]benzoate Traditional Name: 3-[(2R)-2-carboxylatohex-5-enyl]benzoate Formula: C14H14O4-2 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(CC1=CC=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C=CCC[C@H](CC1=CC=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H16O4/c1-2-3-6-11(13(15)16)8-10-5-4-7-12(9-10)14(17)18/h2,4-5,7,9,11H,1,3,6,8H2,(H,15,16)(H,17,18)/p-2/t11-/m1/s1