1-[4-[6-[4-tert-butyl-2,3-bis(oxidanyl)phenyl]hexoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[6-[4-tert-butyl-2,3-bis(oxidanyl)phenyl]hexoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[6-(4-tert-butyl-2,3-dihydroxy-phenyl)hexoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[6-(4-tert-butyl-2,3-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[6-(4-tert-butyl-2,3-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[6-(4-tert-butyl-2,3-dihydroxy-phenyl)hexoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C27H38O5 MolecularWeight: 442.58762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCC2=C(C(=C(C=C2)C(C)(C)C)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCC2=C(C(=C(C=C2)C(C)(C)C)O)O

InChI

InChI=1S/C27H38O5/c1-6-11-21-23(16-14-20(18(2)28)25(21)30)32-17-10-8-7-9-12-19-13-15-22(27(3,4)5)26(31)24(19)29/h13-16,29-31H,6-12,17H2,1-5H3