2,4-dichloro-6-[(E)-[4-methyl-9-[(2-methylpropan-2-yl)oxycarbonyl]-7-thia-4-azoniabicyclo[4.3.0]nona-8,10-dien-8-yl]iminomethyl]phenolate
Molecular Formula:
C
20
H
22
Cl
2
N
2
O
3
S
InChI:
InChI=1/C20H22Cl2N2O3S/c1-20(2,3)27-19(26)16-13-5-6-24(4)10-15(13)28-18(16)23-9-11-7-12(21)8-14(22)17(11)25/h7-9,25H,5-6,10H2,1-4H3/b23-9+/f/h25h,24H
InChIKey:
InChIKey=XYNMDSZMAULTIW-OASITAOVDY
SMILES:
CC(C)(C)OC(=O)C1=C(SC2=C1CC[NH+](C2)C)N=CC3=CC(=CC(=C3[O-])Cl)Cl
Names:
2,4-dichloro-6-[(E)-[4-methyl-9-[(2-methylpropan-2-yl)oxycarbonyl]-7-thia-4-azoniabicyclo[4.3.0]nona-8,10-dien-8-yl]iminomethyl]phenolate
Registries:
PubChem CID 9608942
PubChem ID 11586224
