2-[9-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-nonylidene]-5-oxidanyl-cyclohexane-1,3-dione

Systemtic Name: 2-[9-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-nonylidene]-5-oxidanyl-cyclohexane-1,3-dione Openeye Name: 2-[9-(3,4-dihydroxyphenyl)-1-hydroxy-nonylidene]-5-hydroxy-cyclohexane-1,3-dione CAS Name: 2-[9-(3,4-dihydroxyphenyl)-1-hydroxynonylidene]-5-hydroxycyclohexane-1,3-dione IUPAC Name: 2-[9-(3,4-dihydroxyphenyl)-1-hydroxynonylidene]-5-hydroxycyclohexane-1,3-dione Traditional Name: 2-[9-(3,4-dihydroxyphenyl)-1-hydroxy-nonylidene]-5-hydroxy-cyclohexane-1,3-quinone Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C(CCCCCCCCC2=CC(=C(C=C2)O)O)O)C1=O)O

Isomeric SMILES

C1C(CC(=O)C(=C(CCCCCCCCC2=CC(=C(C=C2)O)O)O)C1=O)O

InChI

InChI=1S/C21H28O6/c22-15-12-19(26)21(20(27)13-15)17(24)8-6-4-2-1-3-5-7-14-9-10-16(23)18(25)11-14/h9-11,15,22-25H,1-8,12-13H2