(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene

Properties Image MNX_ID MNXM100955 reference chebi:69055 formula C22H32N2 global charge 0 mol weight 324.512 InChIKey JZQFIFOTCYCVEG-XQOOQLJESA-N InChI InChI=1S/C22H32N2/c1-14-10-11-22(24-7)16(3)8-9-18-15(2)12-17(19(14)20(18)22)13-21(4,5)23-6/h15-20H,1,8-13H2,2-5H3/t15-,16-,17-,18+,19-,20-,22-/m0/s1 SMILES [C-]#[N+]C(C)(C)C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)[C@@]3([N+]#[C-])CCC(=C)[C@@H]1[C@H]23 MNX internals InChI (mnx) InChI=1/C22H32N2/c1-14-10-11-22(24-7)16(3)8-9-18-15(2)12-17(19(14)20(18)22)13-21(4,5)23-6/h15-20H,1,8-13H2,2-5H3/t15-,16-,17-,18+,19-,20-,22-/m0/s1 SMILES (mnx) [CH2:1]=[C:14]1[CH2:10][CH2:11][C@:22]2([N+:24]#[C-:7])[C@@H:16]([CH3:3])[CH2:8][CH2:9][C@@H:18]3[C@@H:15]([CH3:2])[CH2:12][C@@H:17]([CH2:13][C:21]([CH3:4])([CH3:5])[N+:23]#[C-:6])[C@H:19]1[C@H:20]32

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0