6-(4-tert-butyl-2-oxidanyl-phenyl)-1,3-benzodioxol-5-ol

Systemtic Name: 6-(4-tert-butyl-2-oxidanyl-phenyl)-1,3-benzodioxol-5-ol Openeye Name: 6-(4-tert-butyl-2-hydroxy-phenyl)-1,3-benzodioxol-5-ol CAS Name: 6-(4-tert-butyl-2-hydroxyphenyl)-1,3-benzodioxol-5-ol IUPAC Name: 6-(4-tert-butyl-2-hydroxyphenyl)-1,3-benzodioxol-5-ol Traditional Name: 6-(4-tert-butyl-2-hydroxy-phenyl)sesamol Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C2=CC3=C(C=C2O)OCO3)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C2=CC3=C(C=C2O)OCO3)O

InChI

InChI=1S/C17H18O4/c1-17(2,3)10-4-5-11(13(18)6-10)12-7-15-16(8-14(12)19)21-9-20-15/h4-8,18-19H,9H2,1-3H3