4-(3-methylbutanoyl)-2,6-bis(3-methylbut-2-enyl)-5,6-bis(oxidanyl)cyclohex-4-ene-1,3-dione

Systemtic Name: 4-(3-methylbutanoyl)-2,6-bis(3-methylbut-2-enyl)-5,6-bis(oxidanyl)cyclohex-4-ene-1,3-dione Openeye Name: 5,6-dihydroxy-4-(3-methylbutanoyl)-2,6-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione CAS Name: 5,6-dihydroxy-2,6-bis(3-methylbut-2-enyl)-4-(3-methyl-1-oxobutyl)cyclohex-4-ene-1,3-dione IUPAC Name: 5,6-dihydroxy-4-(3-methylbutanoyl)-2,6-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione Traditional Name: 5,6-dihydroxy-4-isovaleryl-2,6-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-quinone Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(C(=O)C(C1=O)CC=C(C)C)(CC=C(C)C)O)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(C(=O)C(C1=O)CC=C(C)C)(CC=C(C)C)O)O

InChI

InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14-15,25-26H,8,10-11H2,1-6H3