1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-decoxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 1-decoxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Formula: C23H31O3- MolecularWeight: 355.49044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C23H32O3/c1-2-3-4-5-6-7-8-12-19-26-23(22(24)25)17-15-21(16-18-23)20-13-10-9-11-14-20/h9-11,13-18,21H,2-8,12,19H2,1H3,(H,24,25)/p-1