6-butyl-6-methoxy-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-butyl-6-methoxy-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-butyl-6-methoxy-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-butyl-6-methoxy-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-butyl-6-methoxycyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-butyl-6-methoxy-cyclohexa-2,4-diene-1-carboxylate Formula: C12H17O3- MolecularWeight: 209.26158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC=CC1C(=O)[O-])OC

Isomeric SMILES

CCCCC1(C=CC=CC1C(=O)[O-])OC

InChI

InChI=1S/C12H18O3/c1-3-4-8-12(15-2)9-6-5-7-10(12)11(13)14/h5-7,9-10H,3-4,8H2,1-2H3,(H,13,14)/p-1