4-methylbenzenesulfonate; 1-methylquinoxaline
Molecular Formula:
C
16
H
16
N
2
O
3
S
InChI:
InChI=1/C9H9N2.C7H8O3S/c1-11-7-6-10-8-4-2-3-5-9(8)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-7H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/fC9H9N2.C7H7O3S/qm;-1
InChIKey:
InChIKey=ZZTHTFUGVSCWRR-QLRUEZMQCZ
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=NC2=CC=CC=C21
Names:
4-methylbenzenesulfonate; 1-methylquinoxaline
Registries:
PubChem CID 162161
PubChem ID 10254758