146368-07-2
1-ETHYL-2,3,3-TRIMETHYL-INDOLENINIUM-5-SULFONATE
Name1-ETHYL-2,3,3-TRIMETHYL-INDOLENINIUM-5-SULFONATE
1Identification
【Name】
1-ETHYL-2,3,3-TRIMETHYL-INDOLENINIUM-5-SULFONATE
【CAS】
【MDL】
MFCD07369396
【English Synonyms】
【Formula】
C13 H17 N O3 S
【MolWeight】
267.347
【Inchi】
InChI=1S/C13H17NO3S/c1-5-14-9(2)13(3,4)11-8-10(18(15,16)17)6-7-12(11)14/h6-8H,5H2,1-4H3
【InChIKey】
InChIKey=UQVWIROBIAWZFW-UHFFFAOYSA-N
【SMILES】
CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C
【MOL File】
1-ETHYL-2,3,3-TRIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:-1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYL-2,3,3-TRIMETHYL-INDOLENINIUM-5-SULFONATE.cml