6-butyl-4-chloranyl-5-(3,5-ditert-butyl-2-oxidanyl-phenyl)-6-ethyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-butyl-4-chloranyl-5-(3,5-ditert-butyl-2-oxidanyl-phenyl)-6-ethyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-butyl-4-chloro-5-(3,5-ditert-butyl-2-hydroxy-phenyl)-6-ethyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-butyl-4-chloro-5-(3,5-ditert-butyl-2-hydroxyphenyl)-6-ethyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-butyl-4-chloro-5-(3,5-ditert-butyl-2-hydroxyphenyl)-6-ethylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-butyl-4-chloro-5-(3,5-ditert-butyl-2-hydroxy-phenyl)-6-ethyl-cyclohexa-2,4-diene-1-carboxylate Formula: C27H38ClO3- MolecularWeight: 446.04182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C=CC(=C1C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)Cl)C(=O)[O-])CC

Isomeric SMILES

CCCCC1(C(C=CC(=C1C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)Cl)C(=O)[O-])CC

InChI

InChI=1S/C27H39ClO3/c1-9-11-14-27(10-2)19(24(30)31)12-13-21(28)22(27)18-15-17(25(3,4)5)16-20(23(18)29)26(6,7)8/h12-13,15-16,19,29H,9-11,14H2,1-8H3,(H,30,31)/p-1