5-methoxy-3-(3-methylbutyl)-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 5-methoxy-3-(3-methylbutyl)-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-hydroxy-3-isopentyl-5-methoxy-1,4-benzoquinone CAS Name: 2-hydroxy-5-methoxy-3-(3-methylbutyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-hydroxy-5-methoxy-3-(3-methylbutyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-hydroxy-3-isoamyl-5-methoxy-p-benzoquinone Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=O)C=C(C1=O)OC)O

Isomeric SMILES

CC(C)CCC1=C(C(=O)C=C(C1=O)OC)O

InChI

InChI=1S/C12H16O4/c1-7(2)4-5-8-11(14)9(13)6-10(16-3)12(8)15/h6-7,14H,4-5H2,1-3H3