4-methoxy-4-pentyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-methoxy-4-pentyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-methoxy-4-pentyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-methoxy-4-pentyl-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-methoxy-4-pentylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-amyl-4-methoxy-cyclohexa-2,5-diene-1-carboxylate Formula: C13H19O3- MolecularWeight: 223.28816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)C(=O)[O-])OC

Isomeric SMILES

CCCCCC1(C=CC(C=C1)C(=O)[O-])OC

InChI

InChI=1S/C13H20O3/c1-3-4-5-8-13(16-2)9-6-11(7-10-13)12(14)15/h6-7,9-11H,3-5,8H2,1-2H3,(H,14,15)/p-1