4-chloro-2-nitro-8-oxo-7-oxa-9-thiabicyclo[4.3.0]nona-1,3,5-trien-3-olate; cyclohexylazanium
Molecular Formula:
C
13
H
15
ClN
2
O
5
S
InChI:
InChI=1/C7H2ClNO5S.C6H13N/c8-2-1-3-6(15-7(11)14-3)4(5(2)10)9(12)13;7-6-4-2-1-3-5-6/h1,10H;6H,1-5,7H2/fC7HClNO5S.C6H14N/h10h;7H/q-1;+1
InChIKey:
InChIKey=XOCZOPYIKDQXOM-DOQJMWOPCL
SMILES:
C1CCC(CC1)[NH3+].C1=C2C(=C(C(=C1Cl)[O-])[N+](=O)[O-])SC(=O)O2
Names:
4-chloro-2-nitro-8-oxo-7-oxa-9-thiabicyclo[4.3.0]nona-1,3,5-trien-3-olate; cyclohexylazanium
Registries:
PubChem CID 2829451
PubChem ID 11564101