3-ethyl-2-methyl-benzothiazole; 4-methylbenzenesulfonate
Molecular Formula:
C
17
H
19
NO
3
S
2
InChI:
InChI=1/C10H12NS.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/fC10H12NS.C7H7O3S/qm;-1
InChIKey:
InChIKey=NJSVJXQJFLLFCG-SJNOXQNECN
SMILES:
CC[N+]1=C(SC2=CC=CC=C21)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Names:
3-ethyl-2-methyl-benzothiazole; 4-methylbenzenesulfonate
Registries:
PubChem CID 84711
PubChem ID 10220837