3-ethyl-2-ethylsulfanyl-benzothiazole; sulfonatooxyethane
Molecular Formula:
C
13
H
19
NO
4
S
3
InChI:
InChI=1/C11H14NS2.C2H6O4S/c1-3-12-9-7-5-6-8-10(9)14-11(12)13-4-2;1-2-6-7(3,4)5/h5-8H,3-4H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1/fC11H14NS2.C2H5O4S/qm;-1
InChIKey:
InChIKey=ZYOSHLCKKQCQKN-BIPZWSMQCW
SMILES:
CC[N+]1=C(SC2=CC=CC=C21)SCC.CCOS(=O)(=O)[O-]
Names:
3-ethyl-2-ethylsulfanyl-benzothiazole; sulfonatooxyethane
Registries:
PubChem CID 170395
PubChem ID 10257309