3-[[3-(1-oxidanylhexyl)phenoxy]methyl]piperazine-2,5-dione

Systemtic Name: 3-[[3-(1-oxidanylhexyl)phenoxy]methyl]piperazine-2,5-dione Openeye Name: 3-[[3-(1-hydroxyhexyl)phenoxy]methyl]piperazine-2,5-dione CAS Name: 3-[[3-(1-hydroxyhexyl)phenoxy]methyl]piperazine-2,5-dione IUPAC Name: 3-[[3-(1-hydroxyhexyl)phenoxy]methyl]piperazine-2,5-dione Traditional Name: 3-[[3-(1-hydroxyhexyl)phenoxy]methyl]piperazine-2,5-quinone Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=CC=C1)OCC2C(=O)NCC(=O)N2)O

Isomeric SMILES

CCCCCC(C1=CC(=CC=C1)OCC2C(=O)NCC(=O)N2)O

InChI

InChI=1S/C17H24N2O4/c1-2-3-4-8-15(20)12-6-5-7-13(9-12)23-11-14-17(22)18-10-16(21)19-14/h5-7,9,14-15,20H,2-4,8,10-11H2,1H3,(H,18,22)(H,19,21)