2,3-dimethyl-6-nitro-benzothiazole; 4-methylbenzenesulfonate
Molecular Formula:
C
16
H
16
N
2
O
5
S
2
InChI:
InChI=1/C9H9N2O2S.C7H8O3S/c1-6-10(2)8-4-3-7(11(12)13)5-9(8)14-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/fC9H9N2O2S.C7H7O3S/qm;-1
InChIKey:
InChIKey=QHVZYSIEYHLOJN-PDQVFCTHCS
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=C(C=C2)[N+](=O)[O-])C
Names:
2,3-dimethyl-6-nitro-benzothiazole; 4-methylbenzenesulfonate
Registries:
PubChem CID 169082
PubChem ID 10256935
