2,3,5-trimethyl-6-(4-oxidanylbutyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3,5-trimethyl-6-(4-oxidanylbutyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(4-hydroxybutyl)-3,5,6-trimethyl-1,4-benzoquinone CAS Name: 2-(4-hydroxybutyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(4-hydroxybutyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(4-hydroxybutyl)-3,5,6-trimethyl-p-benzoquinone Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)CCCCO)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)CCCCO)C

InChI

InChI=1S/C13H18O3/c1-8-9(2)13(16)11(6-4-5-7-14)10(3)12(8)15/h14H,4-7H2,1-3H3