54136-27-5
5-METHOXY-2,3,3-TRIMETHYL-1-(4-SULFOBUTYL)-INDOLIUM INNER SALT
Name5-METHOXY-2,3,3-TRIMETHYL-1-(4-SULFOBUTYL)-INDOLIUM INNER SALT
1Identification
【Name】
5-METHOXY-2,3,3-TRIMETHYL-1-(4-SULFOBUTYL)-INDOLIUM INNER SALT
【CAS】
【MDL】
MFCD06798208
【English Synonyms】
【Formula】
C16 H23 N O4 S
【MolWeight】
325.427
【Inchi】
InChI=1S/C16H23NO4S/c1-12-16(2,3)14-11-13(21-4)7-8-15(14)17(12)9-5-6-10-22(18,19)20/h7-8,11H,5-6,9-10H2,1-4H3
【InChIKey】
InChIKey=PVYCRNUCAJPUFN-UHFFFAOYSA-N
【SMILES】
CC1=[N+](c2ccc(cc2C1(C)C)OC)CCCCS(=O)(=O)[O-]
【MOL File】
5-METHOXY-2,3,3-TRIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHOXY-2,3,3-TRIMETHYL-1-(4-SULFOBUTYL)-INDOLIUM INNER SALT.cml