(3Z,6S)-3-[[4-[(E,6S)-3,7-dimethyl-6,7-bis(oxidanyl)oct-2-enoxy]phenyl]methylidene]-6-methyl-1-oxidanyl-piperazine-2,5-dione

Systemtic Name: (3Z,6S)-3-[[4-[(E,6S)-3,7-dimethyl-6,7-bis(oxidanyl)oct-2-enoxy]phenyl]methylidene]-6-methyl-1-oxidanyl-piperazine-2,5-dione Openeye Name: (3Z,6S)-3-[[4-[(E,6S)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]phenyl]methylene]-1-hydroxy-6-methyl-piperazine-2,5-dione CAS Name: (3Z,6S)-3-[[4-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]phenyl]methylidene]-1-hydroxy-6-methylpiperazine-2,5-dione IUPAC Name: (3Z,6S)-3-[[4-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]phenyl]methylidene]-1-hydroxy-6-methylpiperazine-2,5-dione Traditional Name: (3Z,6S)-3-[4-[(E,6S)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]benzylidene]-1-hydroxy-6-methyl-piperazine-2,5-quinone Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(=CC2=CC=C(C=C2)OCC=C(C)CCC(C(C)(C)O)O)C(=O)N1O

Isomeric SMILES

C[C@H]1C(=O)N/C(=C\C2=CC=C(C=C2)OC/C=C(\C)/CC[C@@H](C(C)(C)O)O)/C(=O)N1O

InChI

InChI=1S/C22H30N2O6/c1-14(5-10-19(25)22(3,4)28)11-12-30-17-8-6-16(7-9-17)13-18-21(27)24(29)15(2)20(26)23-18/h6-9,11,13,15,19,25,28-29H,5,10,12H2,1-4H3,(H,23,26)/b14-11+,18-13-/t15-,19-/m0/s1