6-[[3,4-bis(oxidanyl)phenyl]-oxidanyl-methyl]-3-hexyl-1-(2-oxidanylidenepropyl)piperazine-2,5-dione

Systemtic Name: 6-[[3,4-bis(oxidanyl)phenyl]-oxidanyl-methyl]-3-hexyl-1-(2-oxidanylidenepropyl)piperazine-2,5-dione Openeye Name: 1-acetonyl-6-[(3,4-dihydroxyphenyl)-hydroxy-methyl]-3-hexyl-piperazine-2,5-dione CAS Name: 6-[(3,4-dihydroxyphenyl)-hydroxymethyl]-3-hexyl-1-(2-oxopropyl)piperazine-2,5-dione IUPAC Name: 6-[(3,4-dihydroxyphenyl)-hydroxymethyl]-3-hexyl-1-(2-oxopropyl)piperazine-2,5-dione Traditional Name: 1-acetonyl-6-[(3,4-dihydroxyphenyl)-hydroxy-methyl]-3-hexyl-piperazine-2,5-quinone Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)N(C(C(=O)N1)C(C2=CC(=C(C=C2)O)O)O)CC(=O)C

Isomeric SMILES

CCCCCCC1C(=O)N(C(C(=O)N1)C(C2=CC(=C(C=C2)O)O)O)CC(=O)C

InChI

InChI=1S/C20H28N2O6/c1-3-4-5-6-7-14-20(28)22(11-12(2)23)17(19(27)21-14)18(26)13-8-9-15(24)16(25)10-13/h8-10,14,17-18,24-26H,3-7,11H2,1-2H3,(H,21,27)