4-methylbenzenesulfonate; (3-methylbenzothiazol-2-yl)methanol
Molecular Formula:
C
16
H
17
NO
4
S
2
InChI:
InChI=1/C9H10NOS.C7H8O3S/c1-10-7-4-2-3-5-8(7)12-9(10)6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,11H,6H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/fC9H10NOS.C7H7O3S/qm;-1
InChIKey:
InChIKey=BHTRHABMWDNOSL-UVNCEZNVCP
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)CO
Names:
4-methylbenzenesulfonate; (3-methylbenzothiazol-2-yl)methanol
Registries:
PubChem CID 2829736
PubChem ID 3295445