(Z)-4-hydroxy-4-oxo-but-2-enoate; 1-(4-methylsulfonylphenyl)-2-(1-oxa-4-azoniacyclohex-4-yl)ethanone
Molecular Formula:
C
17
H
21
NO
8
S
InChI:
InChI=1/C13H17NO4S.C4H4O4/c1-19(16,17)12-4-2-11(3-5-12)13(15)10-14-6-8-18-9-7-14;5-3(6)1-2-4(7)8/h2-5H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/fC13H18NO4S.C4H3O4/h14H;5H/q+1;-1
InChIKey:
InChIKey=SHPGJEQMSAGNKH-AHPPEQHYDX
SMILES:
CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[NH+]2CCOCC2.C(=CC(=O)[O-])C(=O)O
Names:
(Z)-4-hydroxy-4-oxo-but-2-enoate; 1-(4-methylsulfonylphenyl)-2-(1-oxa-4-azoniacyclohex-4-yl)ethanone
Registries:
PubChem CID 6434529
PubChem ID 11621086